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DocumentationIdentifier: MM157091
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157091 |
| SMILES |
CC=CC(C)CCCN
|
| InChIKey |
BCCILXJJKWQXHU-UHFFFAOYSA-N
|
| MW [Da] |
127.23
Automatically obtained from RDkit software. |
| LogP |
1.94
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 | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9104 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 2.1 |
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Total active interactions
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.18 |
||||
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