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DocumentationIdentifier: MM295795
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295795 |
| SMILES |
O=CCC(CO)C(=O)O
|
| InChIKey |
QZXWGGGNYORFOK-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM246866
Similarity: 0.7901
Similarity to MM246866
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8828 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-methyl-4-oxobutanoic Acid
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Similarity to 2-methyl-4-oxobutanoic Acid
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299860
Similarity: 0.6702
Similarity to MM299860
| Tanimoto metric | 0.6702 |
|---|---|
| Cosine metric | 0.803 |
| Dice metric | 0.8025 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+138 more
