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DocumentationIdentifier: MM200392
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM200392 |
| SMILES |
O=CC(=CF)CC=CF
|
| InChIKey |
QWHPAAQWVRBMJG-UHFFFAOYSA-N
|
| MW [Da] |
132.11
Automatically obtained from RDkit software. |
| LogP |
1.91
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 | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.61 |
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Total active interactions
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MM397650
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| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
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| MW: | 150.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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