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DocumentationIdentifier: MM360935
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360935 |
| SMILES |
C=CC(=C)C(C)=CNC=N
|
| InChIKey |
IPFBBCCTBOZILI-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386316
Similarity: 0.7607
Similarity to MM386316
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8641 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396952
Similarity: 0.6774
Similarity to MM396952
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.808 |
| Dice metric | 0.8077 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201756
Similarity: 0.6757
Similarity to MM201756
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8157 |
| Dice metric | 0.8065 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
