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DocumentationIdentifier: MM380739
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380739 |
| SMILES |
C=CC#CC(=CF)NC=O
|
| InChIKey |
LGZPOGSKTSZAQB-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178763
Similarity: 0.8661
Similarity to MM178763
| Tanimoto metric | 0.8661 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9282 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283041
Similarity: 0.7458
Similarity to MM283041
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8544 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89616
Similarity: 0.7368
Similarity to MM89616
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8485 |
| MW: | 141.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+118 more
