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DocumentationIdentifier: MM308143
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308143 |
| SMILES |
CC(=O)C(C(C)=O)C(C)C
|
| InChIKey |
BPIHCIRSGQKCLT-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388786
Similarity: 0.7419
Similarity to MM388786
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8529 |
| Dice metric | 0.8519 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298090
Similarity: 0.6559
Similarity to MM298090
| Tanimoto metric | 0.6559 |
|---|---|
| Cosine metric | 0.7922 |
| Dice metric | 0.7922 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-ethyl-3-oxobutanal
Similarity: 0.6494
Similarity to 2-ethyl-3-oxobutanal
| Tanimoto metric | 0.6494 |
|---|---|
| Cosine metric | 0.8058 |
| Dice metric | 0.7874 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
