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DocumentationIdentifier: MM200408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM200408 |
| SMILES |
C=CC(=CC)NC=NC
|
| InChIKey |
XMWCGJIIZQQUBZ-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420197
Similarity: 0.8673
Similarity to MM420197
| Tanimoto metric | 0.8673 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.929 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383398
Similarity: 0.8173
Similarity to MM383398
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116552
Similarity: 0.8
Similarity to MM116552
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
