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DocumentationIdentifier: MM125572
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM125572 |
| SMILES |
N=CNCCCCO
|
| InChIKey |
GHZKVELBUXAKTH-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
-0.04
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 | 0.8246 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9038 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 0.3 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.98 |
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| AI: | 0
Total active interactions
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+486 more
