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DocumentationIdentifier: MM223496
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223496 |
| SMILES |
CC(=O)NC(C)=CC(C)C
|
| InChIKey |
PNOLVVWPTYMFJB-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136052
Similarity: 0.8482
Similarity to MM136052
| Tanimoto metric | 0.8482 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237988
Similarity: 0.7422
Similarity to MM237988
| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.852 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237989
Similarity: 0.7364
Similarity to MM237989
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8482 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+609 more
