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DocumentationIdentifier: MM28356
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28356 |
| SMILES |
CC(C)(O)C(O)C=O
|
| InChIKey |
YDXYYBJRCIQQSF-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28674
Similarity: 0.7561
Similarity to MM28674
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8611 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41556
Similarity: 0.7391
Similarity to MM41556
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131032
Similarity: 0.7312
Similarity to MM131032
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8447 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
