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DocumentationIdentifier: MM41496
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41496 |
| SMILES |
CC(C=O)C(C)(O)CO
|
| InChIKey |
CRGZXITXMZLFII-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM238954
Similarity: 0.8725
Similarity to MM238954
| Tanimoto metric | 0.8725 |
|---|---|
| Cosine metric | 0.9341 |
| Dice metric | 0.9319 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111558
Similarity: 0.7191
Similarity to MM111558
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8366 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28506
Similarity: 0.7079
Similarity to MM28506
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8413 |
| Dice metric | 0.8289 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+419 more
