Identifier: MM347591
2D Structure
3D Structure
Source:
General | |
Identifier | MM347591 |
SMILES |
CCC(C=O)=CC=C(C)C
|
InChIKey |
VMPABEXUGZXVIN-UHFFFAOYSA-N
|
MW [Da] |
138.21
Automatically obtained from RDkit software. |
LogP |
2.49
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM202014
Similarity: 0.9342
Similarity to MM202014
Tanimoto metric | 0.9342 |
---|---|
Cosine metric | 0.9665 |
Dice metric | 0.966 |
MW: | 124.18 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.1 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM405340
Similarity: 0.9
Similarity to MM405340
Tanimoto metric | 0.9 |
---|---|
Cosine metric | 0.9474 |
Dice metric | 0.9474 |
MW: | 138.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.49 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM326110
Similarity: 0.8846
Similarity to MM326110
Tanimoto metric | 0.8846 |
---|---|
Cosine metric | 0.9393 |
Dice metric | 0.9388 |
MW: | 138.21 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.49 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+507 more