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DocumentationIdentifier: MM391028
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM391028 |
| SMILES |
NC=CC(=O)C1CN1
|
| InChIKey |
JKHVCYJSGOBMLU-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
-1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM397158
Similarity: 0.7377
Similarity to MM397158
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8491 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196472
Similarity: 0.7135
Similarity to MM196472
| Tanimoto metric | 0.7135 |
|---|---|
| Cosine metric | 0.8447 |
| Dice metric | 0.8328 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419422
Similarity: 0.6778
Similarity to MM419422
| Tanimoto metric | 0.6778 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.8079 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
