Identifier: MM330533
2D Structure
3D Structure
Source:
General | |
Identifier | MM330533 |
SMILES |
C=CC(=O)OC(C#N)C=C
|
InChIKey |
KDWQFHPJMZUXNN-UHFFFAOYSA-N
|
MW [Da] |
137.14
Automatically obtained from RDkit software. |
LogP |
0.79
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
Dicyanomethyl Prop-2-enoate
Similarity: 0.712
Similarity to Dicyanomethyl Prop-2-enoate
Tanimoto metric | 0.712 |
---|---|
Cosine metric | 0.8341 |
Dice metric | 0.8318 |
MW: | 136.11 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.13 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM142402
Similarity: 0.6957
Similarity to MM142402
Tanimoto metric | 0.6957 |
---|---|
Cosine metric | 0.8341 |
Dice metric | 0.8205 |
MW: | 126.16 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.29 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM330326
Similarity: 0.6783
Similarity to MM330326
Tanimoto metric | 0.6783 |
---|---|
Cosine metric | 0.809 |
Dice metric | 0.8083 |
MW: | 141.13 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -0.4 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+80 more