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DocumentationIdentifier: MM378243
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378243 |
| SMILES |
C=CC(C=CC#N)NC=O
|
| InChIKey |
RXYPIPUHGDAEEJ-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
MM157844
Similarity: 0.8211
Similarity to MM157844
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237491
Similarity: 0.6393
Similarity to MM237491
| Tanimoto metric | 0.6393 |
|---|---|
| Cosine metric | 0.781 |
| Dice metric | 0.78 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89084
Similarity: 0.629
Similarity to MM89084
| Tanimoto metric | 0.629 |
|---|---|
| Cosine metric | 0.7736 |
| Dice metric | 0.7723 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+42 more
