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DocumentationIdentifier: MM412081
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412081 |
| SMILES |
CCC(=O)C1NC1(C)C
|
| InChIKey |
VUGWIKZPOKORNG-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM439132
Similarity: 0.8551
Similarity to MM439132
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145681
Similarity: 0.8119
Similarity to MM145681
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.9011 |
| Dice metric | 0.8962 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379081
Similarity: 0.7797
Similarity to MM379081
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+78 more
