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DocumentationIdentifier: MM386364
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386364 |
| SMILES |
C=COC(C=O)=CNC=N
|
| InChIKey |
FAKXPEYKFWQHIO-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179222
Similarity: 0.7931
Similarity to MM179222
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84199
Similarity: 0.6983
Similarity to MM84199
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8223 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23522
Similarity: 0.694
Similarity to MM23522
| Tanimoto metric | 0.694 |
|---|---|
| Cosine metric | 0.8196 |
| Dice metric | 0.8194 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
