Identifier: MM368747
2D Structure
3D Structure
Source:
General | |
Identifier | MM368747 |
SMILES |
CCC(=O)C#CC=CC#N
|
InChIKey |
YXZHONHFNLKHCB-UHFFFAOYSA-N
|
MW [Da] |
133.15
Automatically obtained from RDkit software. |
LogP |
1.05
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM170804
Similarity: 0.8222
Similarity to MM170804
Tanimoto metric | 0.8222 |
---|---|
Cosine metric | 0.9068 |
Dice metric | 0.9024 |
MW: | 122.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.55 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM154741
Similarity: 0.7778
Similarity to MM154741
Tanimoto metric | 0.7778 |
---|---|
Cosine metric | 0.8819 |
Dice metric | 0.875 |
MW: | 119.12 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.66 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM368659
Similarity: 0.7629
Similarity to MM368659
Tanimoto metric | 0.7629 |
---|---|
Cosine metric | 0.8667 |
Dice metric | 0.8655 |
MW: | 136.19 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.94 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+211 more