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DocumentationIdentifier: MM389038
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389038 |
| SMILES |
CCC1(CC)NC1C(C)=O
|
| InChIKey |
NZGRHCOZKSILBS-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: 0.9268
Similarity to MM377210
| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9627 |
| Dice metric | 0.962 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM421898
Similarity: 0.7787
Similarity to MM421898
| 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
|
MM364157
Similarity: 0.7549
Similarity to MM364157
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8603 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
