Identifier: MM169679
2D Structure
3D Structure
Source:
General | |
Identifier | MM169679 |
SMILES |
C=CCC=CC(O)C#N
|
InChIKey |
YEZKRZFOPKNDQA-UHFFFAOYSA-N
|
MW [Da] |
123.16
Automatically obtained from RDkit software. |
LogP |
1
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM114103
Similarity: 0.8209
Similarity to MM114103
Tanimoto metric | 0.8209 |
---|---|
Cosine metric | 0.906 |
Dice metric | 0.9016 |
MW: | 111.14 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.84 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM321363
Similarity: 0.7701
Similarity to MM321363
Tanimoto metric | 0.7701 |
---|---|
Cosine metric | 0.8776 |
Dice metric | 0.8701 |
MW: | 139.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -0.03 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM49501
Similarity: 0.7534
Similarity to MM49501
Tanimoto metric | 0.7534 |
---|---|
Cosine metric | 0.8603 |
Dice metric | 0.8594 |
MW: | 122.13 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.34 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+458 more