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DocumentationIdentifier: MM387212
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387212 |
| SMILES |
C#CC(=CC#CC)NC=O
|
| InChIKey |
NGRVRUQNCJPLRG-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52071
Similarity: 0.8148
Similarity to MM52071
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304847
Similarity: 0.7903
Similarity to MM304847
| Tanimoto metric | 0.7903 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8829 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292523
Similarity: 0.7143
Similarity to MM292523
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8333 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
