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DocumentationIdentifier: MM328095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328095 |
| SMILES |
C#CC(F)CC(C#N)C#N
|
| InChIKey |
FDKJZVRGZBLMCL-UHFFFAOYSA-N
|
| MW [Da] |
136.13
Automatically obtained from RDkit software. |
| LogP |
1.01
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 | 0.8925 |
|---|---|
| Cosine metric | 0.9447 |
| Dice metric | 0.9432 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.9 |
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Total active interactions
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| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.848 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+48 more
