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DocumentationIdentifier: MM297553
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297553 |
| SMILES |
CC(C)(CO)C(O)C(=O)O
|
| InChIKey |
OTOIIPJYVQJATP-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM274851
Similarity: 0.7008
Similarity to MM274851
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8241 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295586
Similarity: 0.6266
Similarity to MM295586
| Tanimoto metric | 0.6266 |
|---|---|
| Cosine metric | 0.7705 |
| Dice metric | 0.7704 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381300
Similarity: 0.5893
Similarity to MM381300
| Tanimoto metric | 0.5893 |
|---|---|
| Cosine metric | 0.7425 |
| Dice metric | 0.7416 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
