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DocumentationIdentifier: MM173049
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173049 |
| SMILES |
C=CCC(=C)C(C)CN
|
| InChIKey |
CFLNJZVEPCEWIK-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.71
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 | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.01 |
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Total active interactions
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| Tanimoto metric | 0.7632 |
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| Cosine metric | 0.8736 |
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| MW: | 113.2 |
||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.55 |
||||
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| AI: | 0
Total active interactions
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+542 more
