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DocumentationIdentifier: MM28371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28371 |
| SMILES |
CC(C)(O)C(=O)CO
|
| InChIKey |
FEIUXLCYYBVUGD-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
MM129895
Similarity: 0.734
Similarity to MM129895
| Tanimoto metric | 0.734 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8466 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25581
Similarity: 0.7101
Similarity to MM25581
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8305 |
| MW: | 102.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137831
Similarity: 0.6635
Similarity to MM137831
| Tanimoto metric | 0.6635 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.7977 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
