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DocumentationIdentifier: MM282532
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282532 |
| SMILES |
C=CNC=NC(C)C#CC
|
| InChIKey |
OGEFBYLKURSNRY-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169791
Similarity: 0.7978
Similarity to MM169791
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8875 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241259
Similarity: 0.6636
Similarity to MM241259
| Tanimoto metric | 0.6636 |
|---|---|
| Cosine metric | 0.7978 |
| Dice metric | 0.7978 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215473
Similarity: 0.6629
Similarity to MM215473
| Tanimoto metric | 0.6629 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.7973 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
