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DocumentationIdentifier: MM248533
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM248533 |
| SMILES |
C=C(C#N)CC(F)=C(C)C
|
| InChIKey |
OEFGAYDPKJOCBK-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
2.72
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 | 0.8403 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9132 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7537 |
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| Cosine metric | 0.8596 |
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| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.72 |
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Total active interactions
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|---|---|
| Cosine metric | 0.855 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+119 more
