NPs Basic Information
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Name |
(3-Glycidoxypropyl)dimethylethoxysilane
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| Molecular Formula | C10H22O3Si | |
| IUPAC Name* |
ethoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
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|
| SMILES |
CCO[Si](C)(C)CCCOCC1CO1
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| InChI |
InChI=1S/C10H22O3Si/c1-4-13-14(2,3)7-5-6-11-8-10-9-12-10/h10H,4-9H2,1-3H3
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| InChIKey |
HHBOIIOOTUCYQD-UHFFFAOYSA-N
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| Synonyms |
17963-04-1; (3-Glycidoxypropyl)dimethylethoxysilane; 3-Glycidoxypropyldimethylethoxysilane; ethoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane; 3-(Dimethylethoxysilyl)propyl glycidyl ether; Silane, ethoxydimethyl[3-(oxiranylmethoxy)propyl]-; E98Y7B7FMJ; Oxirane, 2-[[3-(ethoxydimethylsilyl)propoxy]methyl]-; (3-(2,3-Epoxypropoxy)propyl)ethoxydimethylsilane; Silane, ethoxydimethyl(3-(oxiranylmethoxy)propyl)-; Oxirane, 2-((3-(ethoxydimethylsilyl)propoxy)methyl)-; Ethoxydimethyl(3-(oxiran-2-ylmethoxy)propyl)silane; ethoxydimethyl[3-(oxiran-2-ylmethoxy)propyl]silane; EINECS 241-889-7; UNII-E98Y7B7FMJ; Silane,ethoxydimethyl[3-(oxiranylmethoxy)propyl]-; SCHEMBL153462; Silane, [3-(2,3-epoxypropoxy)propyl]ethoxydimethyl-; DTXSID10885002; MFCD00053533; AKOS015915556; 3-(Glycidyloxy)propyldimethylethoxysilane; gamma-Glycidyloxypropyldimethylethoxysilane; 3-Glycidoxypropyldimethylethoxysilane, 97%; 3-[(Glycidyloxy)propyl]dimethylethoxysilane; Ethoxy(dimethyl)[3-(2-oxiranylmethoxy)propyl]silane #; ethoxydimethyl{3-[(oxiran-2-yl)methoxy]propyl}silane
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| CAS | 17963-04-1 | |
| PubChem CID | 62719 | |
| ChEMBL ID | NA |
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification: |
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NPs Species Source
| Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference | |
|---|---|---|---|---|---|---|---|---|
| Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference |
NPs Biological Activity
| Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name |
NPs Physi-Chem Properties
| Molecular Weight: | 218.36 | ALogp: | 2.0 |
| HBD: | 0 | HBA: | 3 |
| Rotatable Bonds: | 8 | Lipinski's rule of five: | Accepted |
| Polar Surface Area: | 31.0 | Aromatic Rings: | 1 |
| Heavy Atoms: | 14 | QED Weighted: | 0.356 |
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NPs ADMET Properties*
ADMET: Absorption
| Caco-2 Permeability: | -4.392 | MDCK Permeability: | 0.00002310 |
| Pgp-inhibitor: | 0.005 | Pgp-substrate: | 0.009 |
| Human Intestinal Absorption (HIA): | 0.002 | 20% Bioavailability (F20%): | 0.042 |
| 30% Bioavailability (F30%): | 0.006 |
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ADMET: Distribution
| Blood-Brain-Barrier Penetration (BBB): | 0.027 | Plasma Protein Binding (PPB): | 95.62% |
| Volume Distribution (VD): | 1.461 | Fu: | 2.02% |
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ADMET: Metabolism
| CYP1A2-inhibitor: | 0.072 | CYP1A2-substrate: | 0.865 |
| CYP2C19-inhibitor: | 0.039 | CYP2C19-substrate: | 0.808 |
| CYP2C9-inhibitor: | 0.011 | CYP2C9-substrate: | 0.082 |
| CYP2D6-inhibitor: | 0.007 | CYP2D6-substrate: | 0.156 |
| CYP3A4-inhibitor: | 0.007 | CYP3A4-substrate: | 0.126 |
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ADMET: Excretion
| Clearance (CL): | 5.309 | Half-life (T1/2): | 0.64 |
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ADMET: Toxicity
| hERG Blockers: | 0.173 | Human Hepatotoxicity (H-HT): | 0.116 |
| Drug-inuced Liver Injury (DILI): | 0.019 | AMES Toxicity: | 0.965 |
| Rat Oral Acute Toxicity: | 0.003 | Maximum Recommended Daily Dose: | 0.049 |
| Skin Sensitization: | 0.93 | Carcinogencity: | 0.929 |
| Eye Corrosion: | 0.814 | Eye Irritation: | 0.991 |
| Respiratory Toxicity: | 0.046 |
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*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.
Similar Compounds*
Compounds similar to EMNPD with top10 similarity:
| Similar NPs | Similar Drugs | ||||||
|---|---|---|---|---|---|---|---|
| NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
| ENC001314 |  |
0.426 | D0A6CQ |  |
0.176 | ||
| ENC000776 |  |
0.304 | D01QLH |  |
0.176 | ||
| ENC001330 |  |
0.302 | D03ROX |  |
0.176 | ||
| ENC001178 |  |
0.288 | D0V9JR |  |
0.173 | ||
| ENC003082 |  |
0.274 | D03MZQ |  |
0.173 | ||
| ENC001177 |  |
0.273 | D0U8AT |  |
0.164 | ||
| ENC000264 |  |
0.259 | D01JQJ |  |
0.161 | ||
| ENC000569 |  |
0.246 | D07SUG |  |
0.156 | ||
| ENC000855 |  |
0.245 | D08HQK |  |
0.152 | ||
| ENC000269 |  |
0.232 | D0H2SY |  |
0.151 | ||