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DocumentationIdentifier: MM274716
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274716 |
| SMILES |
C=C(F)C=C(C#N)CC#N
|
| InChIKey |
QNXKUYBJSADXRP-UHFFFAOYSA-N
|
| MW [Da] |
136.13
Automatically obtained from RDkit software. |
| LogP |
1.83
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 | 0.8151 |
|---|---|
| Cosine metric | 0.9028 |
| Dice metric | 0.8981 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.33 |
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| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8305 |
| MW: | 137.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
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+47 more
