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DocumentationIdentifier: MM237887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237887 |
| SMILES |
CC(=CNC=N)CC(C)C
|
| InChIKey |
ZPMQRKWJUBODOU-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM159496
Similarity: 0.8161
Similarity to MM159496
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8987 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385416
Similarity: 0.7172
Similarity to MM385416
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8353 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM360172
Similarity: 0.6893
Similarity to MM360172
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8161 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+536 more
