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DocumentationIdentifier: MM208991
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM208991 |
| SMILES |
O=CC(F)CCC1CC1
|
| InChIKey |
BEYUAGFCIQBSCA-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.71
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 | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.877 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 1.91 |
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Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
