Identifier: MM56702
2D Structure
3D Structure
Source:
General | |
Identifier | MM56702 |
SMILES |
C=CC(C)(C=O)N=CN
|
InChIKey |
IFVFYGJTJATUEQ-UHFFFAOYSA-N
|
MW [Da] |
126.16
Automatically obtained from RDkit software. |
LogP |
0.12
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM103091
Similarity: 0.6186
Similarity to MM103091
Tanimoto metric | 0.6186 |
---|---|
Cosine metric | 0.7865 |
Dice metric | 0.7643 |
MW: | 114.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -0.05 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM48966
Similarity: 0.5185
Similarity to MM48966
Tanimoto metric | 0.5185 |
---|---|
Cosine metric | 0.6839 |
Dice metric | 0.6829 |
MW: | 140.19 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.51 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM241200
Similarity: 0.4959
Similarity to MM241200
Tanimoto metric | 0.4959 |
---|---|
Cosine metric | 0.664 |
Dice metric | 0.663 |
MW: | 138.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.71 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+66 more