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DocumentationIdentifier: MM312203
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312203 |
| SMILES |
CC(=CC(C)C)CNC=O
|
| InChIKey |
KQGKUUJOFLCIPU-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360303
Similarity: 0.7653
Similarity to MM360303
| Tanimoto metric | 0.7653 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8671 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381245
Similarity: 0.717
Similarity to MM381245
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8352 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360383
Similarity: 0.7075
Similarity to MM360383
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8287 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
