Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM243512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243512 |
| SMILES |
CCC(O)CC(=O)O
|
| InChIKey |
REKYPYSUBKSCAT-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM302606
Similarity: 0.8611
Similarity to MM302606
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
3-hydroxyglutaric Acid
Similarity: 0.7949
Similarity to 3-hydroxyglutaric Acid
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 0
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
(r)-3-hydroxybutanoate
Similarity: 0.7419
Similarity to (r)-3-hydroxybutanoate
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 1
Total active interactions
|
+404 more
