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DocumentationIdentifier: MM431917
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM431917 |
| SMILES |
CCC1(C#N)NC1CC#N
|
| InChIKey |
VHFURXFJRPNTDW-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.54
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 | 0.7922 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8841 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8619 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM177235
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|---|---|
| Cosine metric | 0.8688 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+185 more
