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DocumentationIdentifier: MM72314
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72314 |
| SMILES |
CC(=CC#N)C(O)CC#N
|
| InChIKey |
QRZGEJACBAQTAL-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.73
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 | 0.8136 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.8972 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 0.2 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.62 |
||||
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+170 more
