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DocumentationIdentifier: MM271358
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM271358 |
| SMILES |
CNC(=O)C=CC(=O)CF
|
| InChIKey |
RZXBJJMLVLOZKS-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM287965
Similarity: 0.7586
Similarity to MM287965
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63166
Similarity: 0.637
Similarity to MM63166
| Tanimoto metric | 0.637 |
|---|---|
| Cosine metric | 0.7792 |
| Dice metric | 0.7783 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322272
Similarity: 0.6197
Similarity to MM322272
| Tanimoto metric | 0.6197 |
|---|---|
| Cosine metric | 0.7652 |
| Dice metric | 0.7652 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
