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DocumentationIdentifier: MM161633
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161633 |
| SMILES |
CNC(=O)C(F)=C(C)F
|
| InChIKey |
WCSWCIBTSBIVIZ-UHFFFAOYSA-N
|
| MW [Da] |
135.11
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM354689
Similarity: 0.7529
Similarity to MM354689
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8591 |
| MW: | 153.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM109232
Similarity: 0.7031
Similarity to MM109232
| Tanimoto metric | 0.7031 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8257 |
| MW: | 121.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51114
Similarity: 0.6319
Similarity to MM51114
| Tanimoto metric | 0.6319 |
|---|---|
| Cosine metric | 0.7776 |
| Dice metric | 0.7745 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
