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DocumentationIdentifier: MM374842
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374842 |
| SMILES |
C=CC(C#N)N1CC1C=O
|
| InChIKey |
GTGAOXAJYLUJIP-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377325
Similarity: 0.7302
Similarity to MM377325
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.844 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381813
Similarity: 0.7249
Similarity to MM381813
| Tanimoto metric | 0.7249 |
|---|---|
| Cosine metric | 0.8514 |
| Dice metric | 0.8405 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195181
Similarity: 0.709
Similarity to MM195181
| Tanimoto metric | 0.709 |
|---|---|
| Cosine metric | 0.842 |
| Dice metric | 0.8297 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+27 more
