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DocumentationIdentifier: MM213781
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213781 |
| SMILES |
CCC=CCOCC#N
|
| InChIKey |
GBVFNUZOSCTXTN-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.49
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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MM451744
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| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.88 |
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| Tanimoto metric | 0.8462 |
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| Cosine metric | 0.9199 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1 |
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| AI: | 0
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+668 more
