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DocumentationIdentifier: MM329349
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329349 |
| SMILES |
C=CC(CF)NC(=O)CF
|
| InChIKey |
KKVCWQRACKVUFF-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
0.6
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 | 0.8291 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.81 |
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| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.8086 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+153 more
