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DocumentationIdentifier: MM408095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM408095 |
| SMILES |
CCC(OC)C(=O)CC#N
|
| InChIKey |
GVONCOLOKVPGHI-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7857 |
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| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 127.14 |
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| PI: | 2
Total passive interactions
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| LogP: | 0.5 |
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| Cosine metric | 0.8583 |
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| MW: | 141.17 |
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| PI: | 2
Total passive interactions
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| LogP: | 0.89 |
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+255 more
