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DocumentationIdentifier: MM456592
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456592 |
| SMILES |
C=CCCNC=NC=CF
|
| InChIKey |
CAXIROZJBJSSSQ-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50325
Similarity: 0.7093
Similarity to MM50325
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8299 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456598
Similarity: 0.7093
Similarity to MM456598
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8299 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125842
Similarity: 0.6667
Similarity to MM125842
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
