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DocumentationIdentifier: MM278684
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM278684 |
| SMILES |
C=CC#CC=CC(=O)NC
|
| InChIKey |
SIWBKKYGHJGNHV-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM93438
Similarity: 0.8211
Similarity to MM93438
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9019 |
| Dice metric | 0.9017 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366899
Similarity: 0.8211
Similarity to MM366899
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9019 |
| Dice metric | 0.9017 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366978
Similarity: 0.8041
Similarity to MM366978
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.8914 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
