Identifier: MM171689
2D Structure
3D Structure
Source:
General | |
Identifier | MM171689 |
SMILES |
C=CC(F)=CC#CC=O
|
InChIKey |
NMVIDMULGSGBMR-UHFFFAOYSA-N
|
MW [Da] |
124.11
Automatically obtained from RDkit software. |
LogP |
1.23
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM114919
Similarity: 0.7662
Similarity to MM114919
Tanimoto metric | 0.7662 |
---|---|
Cosine metric | 0.8753 |
Dice metric | 0.8676 |
MW: | 110.13 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.05 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM261081
Similarity: 0.7404
Similarity to MM261081
Tanimoto metric | 0.7404 |
---|---|
Cosine metric | 0.8605 |
Dice metric | 0.8508 |
MW: | 138.14 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.62 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM106667
Similarity: 0.7403
Similarity to MM106667
Tanimoto metric | 0.7403 |
---|---|
Cosine metric | 0.8604 |
Dice metric | 0.8507 |
MW: | 112.1 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.06 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+204 more