Identifier: MM200772
2D Structure
3D Structure
Source:
General | |
Identifier | MM200772 |
SMILES |
C=CC(C#N)C=CCC
|
InChIKey |
CUYVUQQSCNHFRO-UHFFFAOYSA-N
|
MW [Da] |
121.18
Automatically obtained from RDkit software. |
LogP |
2.28
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM425992
Similarity: 0.9231
Similarity to MM425992
Tanimoto metric | 0.9231 |
---|---|
Cosine metric | 0.9608 |
Dice metric | 0.96 |
MW: | 133.19 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.44 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM426014
Similarity: 0.9091
Similarity to MM426014
Tanimoto metric | 0.9091 |
---|---|
Cosine metric | 0.9535 |
Dice metric | 0.9524 |
MW: | 132.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.78 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM343596
Similarity: 0.9091
Similarity to MM343596
Tanimoto metric | 0.9091 |
---|---|
Cosine metric | 0.9535 |
Dice metric | 0.9524 |
MW: | 135.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.52 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+564 more