3-methylpentane-2,4-dione
2D Structure
3D Structure
Source:
General | |
Identifier | MM02357 |
SMILES |
CC(=O)C(C)C(C)=O
|
InChIKey |
GSOHKPVFCOWKPU-UHFFFAOYSA-N
|
MW [Da] |
114.14
Automatically obtained from RDkit software. |
LogP |
0.8
Automatically obtained from RDkit software. |
Links | |
PubChem |
69949
|
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
2-ethyl-3-oxobutanal
Similarity: 0.8148
Similarity to 2-ethyl-3-oxobutanal
Tanimoto metric | 0.8148 |
---|---|
Cosine metric | 0.8981 |
Dice metric | 0.898 |
MW: | 114.14 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.8 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
2-methyl-3-oxobutanal
Similarity: 0.75
Similarity to 2-methyl-3-oxobutanal
Tanimoto metric | 0.75 |
---|---|
Cosine metric | 0.866 |
Dice metric | 0.8571 |
MW: | 100.12 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.41 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM132955
Similarity: 0.7385
Similarity to MM132955
Tanimoto metric | 0.7385 |
---|---|
Cosine metric | 0.8593 |
Dice metric | 0.8496 |
MW: | 128.17 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.19 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+101 more