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DocumentationIdentifier: MM339477
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339477 |
| SMILES |
C=CC(=CC(F)=CF)CC
|
| InChIKey |
ZCZUSAPXEJOXJQ-UHFFFAOYSA-N
|
| MW [Da] |
144.16
Automatically obtained from RDkit software. |
| LogP |
3.29
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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MM248294
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| Tanimoto metric | 0.797 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.887 |
| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM151039
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| Cosine metric | 0.866 |
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| MW: | 126.17 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
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Total active interactions
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| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.856 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
