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DocumentationIdentifier: MM82893
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82893 |
| SMILES |
CC=C(C)C(O)C(=O)CO
|
| InChIKey |
PNMIOFJXSJHBCQ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161398
Similarity: 0.7516
Similarity to MM161398
| Tanimoto metric | 0.7516 |
|---|---|
| Cosine metric | 0.8669 |
| Dice metric | 0.8582 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74804
Similarity: 0.6455
Similarity to MM74804
| Tanimoto metric | 0.6455 |
|---|---|
| Cosine metric | 0.7851 |
| Dice metric | 0.7846 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43352
Similarity: 0.5901
Similarity to MM43352
| Tanimoto metric | 0.5901 |
|---|---|
| Cosine metric | 0.7682 |
| Dice metric | 0.7422 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
