Identifier: MM26215
2D Structure
3D Structure
Source:
General | |
Identifier | MM26215 |
SMILES |
CCCC(C)C=O
|
InChIKey |
FTZILAQGHINQQR-UHFFFAOYSA-N
|
MW [Da] |
100.16
Automatically obtained from RDkit software. |
LogP |
1.62
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM112852
Similarity: 0.8333
Similarity to MM112852
Tanimoto metric | 0.8333 |
---|---|
Cosine metric | 0.9129 |
Dice metric | 0.9091 |
MW: | 114.14 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.8 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM104185
Similarity: 0.8333
Similarity to MM104185
Tanimoto metric | 0.8333 |
---|---|
Cosine metric | 0.9129 |
Dice metric | 0.9091 |
MW: | 114.19 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.87 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
2-propylpropanedial
Similarity: 0.7895
Similarity to 2-propylpropanedial
Tanimoto metric | 0.7895 |
---|---|
Cosine metric | 0.8885 |
Dice metric | 0.8824 |
MW: | 114.14 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.8 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+506 more