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DocumentationIdentifier: MM246512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246512 |
| SMILES |
C=C(C#N)NC(=O)C(F)F
|
| InChIKey |
KQFKAIBCOGBSOI-UHFFFAOYSA-N
|
| MW [Da] |
146.1
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43189
Similarity: 0.812
Similarity to MM43189
| Tanimoto metric | 0.812 |
|---|---|
| Cosine metric | 0.9011 |
| Dice metric | 0.8963 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334270
Similarity: 0.6707
Similarity to MM334270
| Tanimoto metric | 0.6707 |
|---|---|
| Cosine metric | 0.8033 |
| Dice metric | 0.8029 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246319
Similarity: 0.6494
Similarity to MM246319
| Tanimoto metric | 0.6494 |
|---|---|
| Cosine metric | 0.7883 |
| Dice metric | 0.7874 |
| MW: | 153.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
