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DocumentationIdentifier: MM169711
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169711 |
| SMILES |
C=CNC=NC(C)C=O
|
| InChIKey |
MWIKRZHURLOFKW-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM321416
Similarity: 0.7912
Similarity to MM321416
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8895 |
| Dice metric | 0.8834 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50331
Similarity: 0.72
Similarity to MM50331
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145469
Similarity: 0.6867
Similarity to MM145469
| Tanimoto metric | 0.6867 |
|---|---|
| Cosine metric | 0.8146 |
| Dice metric | 0.8143 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
