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DocumentationIdentifier: MM260766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260766 |
| SMILES |
CNC(=N)C#CC=C(F)F
|
| InChIKey |
MMNGSOPUYPZCID-UHFFFAOYSA-N
|
| MW [Da] |
144.12
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170813
Similarity: 0.8542
Similarity to MM170813
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133441
Similarity: 0.7708
Similarity to MM133441
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283043
Similarity: 0.7257
Similarity to MM283043
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.841 |
| MW: | 138.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
