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DocumentationIdentifier: MM396952
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396952 |
| SMILES |
C=C(C)C(=CNC=N)CC
|
| InChIKey |
RSKHYCMVVBCTGE-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360723
Similarity: 0.8158
Similarity to MM360723
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.8988 |
| Dice metric | 0.8986 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201756
Similarity: 0.7822
Similarity to MM201756
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8778 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397057
Similarity: 0.7719
Similarity to MM397057
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8713 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+357 more
