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DocumentationIdentifier: MM51115
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51115 |
| SMILES |
CNC(=O)C(F)=CC#N
|
| InChIKey |
JVYLKZYTHOTGCC-UHFFFAOYSA-N
|
| MW [Da] |
128.11
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM74850
Similarity: 0.8248
Similarity to MM74850
| Tanimoto metric | 0.8248 |
|---|---|
| Cosine metric | 0.9082 |
| Dice metric | 0.904 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296587
Similarity: 0.8014
Similarity to MM296587
| Tanimoto metric | 0.8014 |
|---|---|
| Cosine metric | 0.8952 |
| Dice metric | 0.8898 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34846
Similarity: 0.7434
Similarity to MM34846
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8622 |
| Dice metric | 0.8528 |
| MW: | 114.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
