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DocumentationIdentifier: MM382477
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382477 |
| SMILES |
C=CC=C(C#N)CNC=O
|
| InChIKey |
PQPXKNGPXULEOB-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
MM54840
Similarity: 0.8091
Similarity to MM54840
| Tanimoto metric | 0.8091 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8945 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90170
Similarity: 0.7008
Similarity to MM90170
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.8241 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90235
Similarity: 0.6742
Similarity to MM90235
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.8054 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+65 more
