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DocumentationIdentifier: MM58703
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58703 |
| SMILES |
CC(O)(CC#N)C(O)CO
|
| InChIKey |
RKYPEOWNPVMAES-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40461
Similarity: 0.7557
Similarity to MM40461
| Tanimoto metric | 0.7557 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8609 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61333
Similarity: 0.6918
Similarity to MM61333
| Tanimoto metric | 0.6918 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8178 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58743
Similarity: 0.6429
Similarity to MM58743
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7831 |
| Dice metric | 0.7826 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
