Identifier: MM386996
2D Structure
3D Structure
Source:
General | |
Identifier | MM386996 |
SMILES |
C=CC(=CC=CF)CC#N
|
InChIKey |
ISVLXEILJHHBQG-UHFFFAOYSA-N
|
MW [Da] |
137.16
Automatically obtained from RDkit software. |
LogP |
2.5
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM179235
Similarity: 0.7755
Similarity to MM179235
Tanimoto metric | 0.7755 |
---|---|
Cosine metric | 0.8806 |
Dice metric | 0.8736 |
MW: | 119.17 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.2 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM159695
Similarity: 0.7347
Similarity to MM159695
Tanimoto metric | 0.7347 |
---|---|
Cosine metric | 0.8571 |
Dice metric | 0.8471 |
MW: | 125.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.33 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM202013
Similarity: 0.7143
Similarity to MM202013
Tanimoto metric | 0.7143 |
---|---|
Cosine metric | 0.8452 |
Dice metric | 0.8333 |
MW: | 126.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.99 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+190 more