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DocumentationIdentifier: MM150589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150589 |
| SMILES |
C#CC(=CF)NC(C)=O
|
| InChIKey |
LHUJAURESHWQHK-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM334651
Similarity: 0.8045
Similarity to MM334651
| Tanimoto metric | 0.8045 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8917 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273365
Similarity: 0.7926
Similarity to MM273365
| Tanimoto metric | 0.7926 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8843 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334619
Similarity: 0.7698
Similarity to MM334619
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8699 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
