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DocumentationIdentifier: MM439132
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM439132 |
| SMILES |
CC(C)C(=O)C1NC1(C)C
|
| InChIKey |
SGXCQBKKFLZYSW-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM412081
Similarity: 0.8551
Similarity to MM412081
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145681
Similarity: 0.7206
Similarity to MM145681
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.8376 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM421898
Similarity: 0.6899
Similarity to MM421898
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8165 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+78 more
