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DocumentationIdentifier: MM383398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383398 |
| SMILES |
C=CC=C(C=C)NC=NC
|
| InChIKey |
CRIUNXCTMVGIQH-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200408
Similarity: 0.8173
Similarity to MM200408
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420197
Similarity: 0.7265
Similarity to MM420197
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.842 |
| Dice metric | 0.8416 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82260
Similarity: 0.6746
Similarity to MM82260
| Tanimoto metric | 0.6746 |
|---|---|
| Cosine metric | 0.8058 |
| Dice metric | 0.8057 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+130 more
