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DocumentationIdentifier: MM381511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381511 |
| SMILES |
CCC1C(C=O)N1C
|
| InChIKey |
OQDMUXGEMBOYNV-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM343361
Similarity: 0.72
Similarity to MM343361
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400446
Similarity: 0.6994
Similarity to MM400446
| Tanimoto metric | 0.6994 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8231 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390794
Similarity: 0.6825
Similarity to MM390794
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.8113 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
