Identifier: MM179240
2D Structure
3D Structure
Source:
General | |
Identifier | MM179240 |
SMILES |
C=CCC(C=O)=CC=O
|
InChIKey |
ORLJSTHWXZKOJC-UHFFFAOYSA-N
|
MW [Da] |
124.14
Automatically obtained from RDkit software. |
LogP |
0.89
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM116544
Similarity: 0.7973
Similarity to MM116544
Tanimoto metric | 0.7973 |
---|---|
Cosine metric | 0.8929 |
Dice metric | 0.8872 |
MW: | 110.16 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.71 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM386300
Similarity: 0.7528
Similarity to MM386300
Tanimoto metric | 0.7528 |
---|---|
Cosine metric | 0.8601 |
Dice metric | 0.859 |
MW: | 136.19 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.26 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM116836
Similarity: 0.7432
Similarity to MM116836
Tanimoto metric | 0.7432 |
---|---|
Cosine metric | 0.8621 |
Dice metric | 0.8527 |
MW: | 112.13 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.72 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+389 more