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DocumentationIdentifier: MM354780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM354780 |
| SMILES |
N#CCNC(=O)C(F)=CF
|
| InChIKey |
JJJWZVJCWQAOGK-UHFFFAOYSA-N
|
| MW [Da] |
146.1
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162735
Similarity: 0.7687
Similarity to MM162735
| Tanimoto metric | 0.7687 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8692 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354778
Similarity: 0.7333
Similarity to MM354778
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8462 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354700
Similarity: 0.7097
Similarity to MM354700
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.8302 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+155 more
