Identifier: MM351095
2D Structure
3D Structure
Source:
General | |
Identifier | MM351095 |
SMILES |
C=C(CCC#N)C(O)C#N
|
InChIKey |
JMVJCXKDLZJGML-UHFFFAOYSA-N
|
MW [Da] |
136.15
Automatically obtained from RDkit software. |
LogP |
0.73
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM344472
Similarity: 0.789
Similarity to MM344472
Tanimoto metric | 0.789 |
---|---|
Cosine metric | 0.8883 |
Dice metric | 0.8821 |
MW: | 125.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.23 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM351089
Similarity: 0.7823
Similarity to MM351089
Tanimoto metric | 0.7823 |
---|---|
Cosine metric | 0.8779 |
Dice metric | 0.8778 |
MW: | 137.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.39 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM351093
Similarity: 0.7239
Similarity to MM351093
Tanimoto metric | 0.7239 |
---|---|
Cosine metric | 0.8412 |
Dice metric | 0.8398 |
MW: | 139.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.41 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+146 more