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DocumentationIdentifier: MM196471
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196471 |
| SMILES |
CC=CC(=O)C1CN1C
|
| InChIKey |
FHGUXJIMYTWSRP-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM124583
Similarity: 0.7965
Similarity to MM124583
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8867 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196472
Similarity: 0.7065
Similarity to MM196472
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.828 |
| Dice metric | 0.828 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403902
Similarity: 0.6919
Similarity to MM403902
| Tanimoto metric | 0.6919 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8179 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
