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DocumentationIdentifier: MM320562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320562 |
| SMILES |
N=C(CN)NCC(F)=CF
|
| InChIKey |
JHWXEAKIGRHWID-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145312
Similarity: 0.7863
Similarity to MM145312
| Tanimoto metric | 0.7863 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8804 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320721
Similarity: 0.6765
Similarity to MM320721
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8073 |
| Dice metric | 0.807 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320815
Similarity: 0.6345
Similarity to MM320815
| Tanimoto metric | 0.6345 |
|---|---|
| Cosine metric | 0.7764 |
| Dice metric | 0.7764 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
