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DocumentationIdentifier: MM329887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329887 |
| SMILES |
C#CC(=O)NC(C#N)CO
|
| InChIKey |
KWOUHDWUPAMORM-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150030
Similarity: 0.75
Similarity to MM150030
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329093
Similarity: 0.6643
Similarity to MM329093
| Tanimoto metric | 0.6643 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.7983 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329341
Similarity: 0.6513
Similarity to MM329341
| Tanimoto metric | 0.6513 |
|---|---|
| Cosine metric | 0.7899 |
| Dice metric | 0.7888 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
