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DocumentationIdentifier: MM296587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296587 |
| SMILES |
C=CNC(=O)C(F)=CC#N
|
| InChIKey |
XRAZSOWDEVDULD-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51115
Similarity: 0.8014
Similarity to MM51115
| Tanimoto metric | 0.8014 |
|---|---|
| Cosine metric | 0.8952 |
| Dice metric | 0.8898 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174919
Similarity: 0.7943
Similarity to MM174919
| Tanimoto metric | 0.7943 |
|---|---|
| Cosine metric | 0.8912 |
| Dice metric | 0.8854 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354939
Similarity: 0.7089
Similarity to MM354939
| Tanimoto metric | 0.7089 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8296 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
