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DocumentationIdentifier: MM365225
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365225 |
| SMILES |
C=CC(=O)C=CNC=NC
|
| InChIKey |
ILCJUFZCSDHRKN-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170001
Similarity: 0.8588
Similarity to MM170001
| Tanimoto metric | 0.8588 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.9241 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282404
Similarity: 0.6952
Similarity to MM282404
| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8202 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322114
Similarity: 0.6822
Similarity to MM322114
| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.8124 |
| Dice metric | 0.8111 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
