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DocumentationIdentifier: MM317452
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317452 |
| SMILES |
CNC(=O)CCC(O)C#N
|
| InChIKey |
GLMNISJIYMGDRF-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144421
Similarity: 0.7692
Similarity to MM144421
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62853
Similarity: 0.6593
Similarity to MM62853
| Tanimoto metric | 0.6593 |
|---|---|
| Cosine metric | 0.7954 |
| Dice metric | 0.7946 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254944
Similarity: 0.6544
Similarity to MM254944
| Tanimoto metric | 0.6544 |
|---|---|
| Cosine metric | 0.7917 |
| Dice metric | 0.7911 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
