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DocumentationIdentifier: MM124918
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM124918 |
| SMILES |
CCC=CC1CN1C
|
| InChIKey |
KYJDPFCQQUJHMX-UHFFFAOYSA-N
|
| MW [Da] |
111.19
Automatically obtained from RDkit software. |
| LogP |
1.27
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 | 0.9255 |
|---|---|
| Cosine metric | 0.962 |
| Dice metric | 0.9613 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.47 |
||||
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| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 0.21 |
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Total passive interactions
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| LogP: | 1.66 |
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