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DocumentationIdentifier: MM378682
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378682 |
| SMILES |
C=CC(=C)C(C#N)NC=O
|
| InChIKey |
PPWWYFFFWPWZQV-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52291
Similarity: 0.7603
Similarity to MM52291
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.8719 |
| Dice metric | 0.8638 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299542
Similarity: 0.6781
Similarity to MM299542
| Tanimoto metric | 0.6781 |
|---|---|
| Cosine metric | 0.8235 |
| Dice metric | 0.8082 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94788
Similarity: 0.6236
Similarity to MM94788
| Tanimoto metric | 0.6236 |
|---|---|
| Cosine metric | 0.7682 |
| Dice metric | 0.7682 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
