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DocumentationIdentifier: MM380737
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380737 |
| SMILES |
C=CC#CC(=CF)NC=N
|
| InChIKey |
RZEADNLADFDZFR-UHFFFAOYSA-N
|
| MW [Da] |
138.15
Automatically obtained from RDkit software. |
| LogP |
1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM283040
Similarity: 0.7458
Similarity to MM283040
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8544 |
| MW: | 138.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57789
Similarity: 0.6786
Similarity to MM57789
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8238 |
| Dice metric | 0.8085 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90668
Similarity: 0.6786
Similarity to MM90668
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8238 |
| Dice metric | 0.8085 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+143 more
