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DocumentationIdentifier: MM419399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM419399 |
| SMILES |
C=C(C)C(=O)C=CC1CC1
|
| InChIKey |
PXAZYGPSNVHMSV-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.1
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 | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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||||
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Total passive interactions
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| LogP: | 1.71 |
||||
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+246 more
