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DocumentationIdentifier: MM150030
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150030 |
| SMILES |
CC(=O)NC(C#N)CO
|
| InChIKey |
LQUDNNDEXGNVSG-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM329341
Similarity: 0.8319
Similarity to MM329341
| Tanimoto metric | 0.8319 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9083 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329733
Similarity: 0.7615
Similarity to MM329733
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8646 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329887
Similarity: 0.75
Similarity to MM329887
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+246 more
