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DocumentationIdentifier: MM357129
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357129 |
| SMILES |
C=CC(=O)C(=C)C=CC#N
|
| InChIKey |
ZXKXNULPPJWHRM-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48305
Similarity: 0.7931
Similarity to MM48305
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174517
Similarity: 0.7759
Similarity to MM174517
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8738 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM247718
Similarity: 0.6345
Similarity to MM247718
| Tanimoto metric | 0.6345 |
|---|---|
| Cosine metric | 0.7765 |
| Dice metric | 0.7764 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
