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DocumentationIdentifier: MM288914
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288914 |
| SMILES |
C#CC=CC=CNC(C)=O
|
| InChIKey |
XCPOAUJHCUJHRB-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM288890
Similarity: 0.7931
Similarity to MM288890
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8846 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375035
Similarity: 0.7228
Similarity to MM375035
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8391 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68836
Similarity: 0.7158
Similarity to MM68836
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8344 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
