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DocumentationIdentifier: MM172780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172780 |
| SMILES |
C=CC(=C)C(C)NC=N
|
| InChIKey |
WLNVUAPODCPLMN-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.31
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 | 0.8448 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9159 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8682 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.61 |
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Total active interactions
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| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8489 |
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| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+191 more
