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DocumentationIdentifier: MM170231
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170231 |
| SMILES |
C=CC(=O)C=CC=CF
|
| InChIKey |
DAMKLWODAHBTPV-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
1.78
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 | 0.9296 |
|---|---|
| Cosine metric | 0.9641 |
| Dice metric | 0.9635 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.08 |
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| Tanimoto metric | 0.8182 |
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| Cosine metric | 0.9045 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+199 more
