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DocumentationIdentifier: MM41675
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41675 |
| SMILES |
CC(C)(C=O)C(=O)CO
|
| InChIKey |
GSQCYSIEWGMUPC-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111896
Similarity: 0.7561
Similarity to MM111896
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM430929
Similarity: 0.6966
Similarity to MM430929
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8243 |
| Dice metric | 0.8212 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28366
Similarity: 0.6585
Similarity to MM28366
| Tanimoto metric | 0.6585 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.7941 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
