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DocumentationIdentifier: MM421898
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM421898 |
| SMILES |
CCC(=O)C1NC1(C)CC
|
| InChIKey |
VEXDXAWRKLQHPP-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377210
Similarity: 0.8297
Similarity to MM377210
| Tanimoto metric | 0.8297 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9069 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389038
Similarity: 0.7787
Similarity to MM389038
| Tanimoto metric | 0.7787 |
|---|---|
| Cosine metric | 0.8769 |
| Dice metric | 0.8756 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412081
Similarity: 0.7729
Similarity to MM412081
| Tanimoto metric | 0.7729 |
|---|---|
| Cosine metric | 0.8792 |
| Dice metric | 0.8719 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
