Log in
Browse 
Membranes
Search
Statistics
Lab
Documentation3-formyl-4-oxobutanoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03551 |
| SMILES |
O=CC(C=O)CC(=O)O
|
| InChIKey |
ZKUWNELLOZCABO-UHFFFAOYSA-N
|
| MW [Da] |
130.1
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
57312798
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM299860
Similarity: 0.6867
Similarity to MM299860
| Tanimoto metric | 0.6867 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8143 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251595
Similarity: 0.6829
Similarity to MM251595
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8116 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-methyl-4-oxobutanoic Acid
Similarity: 0.6757
Similarity to 2-methyl-4-oxobutanoic Acid
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.8065 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+34 more
