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DocumentationIdentifier: MM46982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46982 |
| SMILES |
C=CC#CC(=C)NC=O
|
| InChIKey |
STLCDSMEXCLUQT-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107719
Similarity: 0.8553
Similarity to MM107719
| Tanimoto metric | 0.8553 |
|---|---|
| Cosine metric | 0.9248 |
| Dice metric | 0.922 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283041
Similarity: 0.8085
Similarity to MM283041
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47005
Similarity: 0.7333
Similarity to MM47005
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8462 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
