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DocumentationIdentifier: MM261687
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261687 |
| SMILES |
CN(C=O)CC(O)CC#N
|
| InChIKey |
SKZLFVCTXHJNEB-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261573
Similarity: 0.7016
Similarity to MM261573
| Tanimoto metric | 0.7016 |
|---|---|
| Cosine metric | 0.8258 |
| Dice metric | 0.8246 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244810
Similarity: 0.7008
Similarity to MM244810
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8241 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261572
Similarity: 0.6929
Similarity to MM261572
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.819 |
| Dice metric | 0.8186 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
