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DocumentationIdentifier: MM404578
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404578 |
| SMILES |
CC=CCCC(CN)CN
|
| InChIKey |
OVCRNZGZMABOEX-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.88
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 | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.94 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.33 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.49 |
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| AI: | 0
Total active interactions
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+487 more
