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DocumentationIdentifier: MM200822
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM200822 |
| SMILES |
C=CC(C=C)C=CC#N
|
| InChIKey |
VJQQCXOEQDMTIW-UHFFFAOYSA-N
|
| MW [Da] |
119.17
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114159
Similarity: 0.9167
Similarity to MM114159
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158147
Similarity: 0.8148
Similarity to MM158147
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.8981 |
| Dice metric | 0.898 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311321
Similarity: 0.7742
Similarity to MM311321
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
