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DocumentationIdentifier: MM278782
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM278782 |
| SMILES |
C=CCC(=O)CN1CC1C
|
| InChIKey |
CKTVWFUGSYZJNM-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.84
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 | 0.8613 |
|---|---|
| Cosine metric | 0.9281 |
| Dice metric | 0.9255 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.852 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
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Total active interactions
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MM153861
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+84 more
