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DocumentationIdentifier: MM295338
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295338 |
| SMILES |
CC#CC(=O)C(O)CC#N
|
| InChIKey |
SGBZNQWQANYERD-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50221
Similarity: 0.7879
Similarity to MM50221
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358749
Similarity: 0.7014
Similarity to MM358749
| Tanimoto metric | 0.7014 |
|---|---|
| Cosine metric | 0.827 |
| Dice metric | 0.8245 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358845
Similarity: 0.6779
Similarity to MM358845
| Tanimoto metric | 0.6779 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.808 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+143 more
