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DocumentationIdentifier: MM201689
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM201689 |
| SMILES |
CCCC=C(C#N)CC
|
| InChIKey |
ZVWPRHACYMLMEZ-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
2.65
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 | 0.9054 |
|---|---|
| Cosine metric | 0.9515 |
| Dice metric | 0.9504 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9389 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 3.04 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
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Total active interactions
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