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DocumentationIdentifier: MM82400
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82400 |
| SMILES |
C#CC(=O)C(O)C(O)C#N
|
| InChIKey |
WPVSVLSPWWMGIL-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160470
Similarity: 0.7452
Similarity to MM160470
| Tanimoto metric | 0.7452 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.854 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160249
Similarity: 0.707
Similarity to MM160249
| Tanimoto metric | 0.707 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8284 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50221
Similarity: 0.6624
Similarity to MM50221
| Tanimoto metric | 0.6624 |
|---|---|
| Cosine metric | 0.8139 |
| Dice metric | 0.7969 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
