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DocumentationIdentifier: MM91890
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91890 |
| SMILES |
C=CNC(CC(C)=O)=NC
|
| InChIKey |
SSWCSQGUGWWCAZ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92657
Similarity: 0.7101
Similarity to MM92657
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8305 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273054
Similarity: 0.6708
Similarity to MM273054
| Tanimoto metric | 0.6708 |
|---|---|
| Cosine metric | 0.8032 |
| Dice metric | 0.803 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52841
Similarity: 0.6313
Similarity to MM52841
| Tanimoto metric | 0.6313 |
|---|---|
| Cosine metric | 0.7752 |
| Dice metric | 0.7739 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
