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DocumentationIdentifier: MM270768
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270768 |
| SMILES |
C=CC(C)=C(C)NC(C)=N
|
| InChIKey |
VBMFNKYNWRLNOU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.05
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 | 0.7218 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7068 |
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| Cosine metric | 0.8407 |
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| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.66 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM136107
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| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8362 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
