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DocumentationIdentifier: MM173794
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173794 |
| SMILES |
C=CC(=C)C(=C)CCF
|
| InChIKey |
RFNNWMOGSSGYOE-UHFFFAOYSA-N
|
| MW [Da] |
126.17
Automatically obtained from RDkit software. |
| LogP |
2.64
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 | 0.7703 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8702 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7629 |
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| Cosine metric | 0.8734 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.94 |
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Total active interactions
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MM352223
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| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.8371 |
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| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
