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DocumentationIdentifier: MM174440
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174440 |
| SMILES |
C=CN(C)C(=O)C=CF
|
| InChIKey |
JXNCNFAJLGHRFB-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM412965
Similarity: 0.8962
Similarity to MM412965
| Tanimoto metric | 0.8962 |
|---|---|
| Cosine metric | 0.9467 |
| Dice metric | 0.9453 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35712
Similarity: 0.7474
Similarity to MM35712
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8554 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412685
Similarity: 0.7364
Similarity to MM412685
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8482 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+502 more
