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DocumentationIdentifier: MM266318
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266318 |
| SMILES |
CN=C(C)NC(C)=CC#N
|
| InChIKey |
NNDNHTWSKZPOIO-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.05
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 | 0.7829 |
|---|---|
| Cosine metric | 0.8848 |
| Dice metric | 0.8783 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8084 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
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|---|---|---|---|---|---|
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Total active interactions
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MM248598
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| Tanimoto metric | 0.6558 |
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| Cosine metric | 0.7922 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+380 more
