Identifier: MM49954
2D Structure
3D Structure
Source:
General | |
Identifier | MM49954 |
SMILES |
N#CC#CC=C(F)C#N
|
InChIKey |
LXSXKJUVLQTVSM-UHFFFAOYSA-N
|
MW [Da] |
120.09
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
MM114921
Similarity: 0.8514
Similarity to MM114921
Tanimoto metric | 0.8514 |
---|---|
Cosine metric | 0.9227 |
Dice metric | 0.9197 |
MW: | 109.1 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.39 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM171692
Similarity: 0.759
Similarity to MM171692
Tanimoto metric | 0.759 |
---|---|
Cosine metric | 0.8631 |
Dice metric | 0.863 |
MW: | 121.11 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.55 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM106668
Similarity: 0.7568
Similarity to MM106668
Tanimoto metric | 0.7568 |
---|---|
Cosine metric | 0.8699 |
Dice metric | 0.8615 |
MW: | 109.1 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.39 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+90 more