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DocumentationIdentifier: MM240162
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240162 |
| SMILES |
CC(C)(C#N)NCC=CF
|
| InChIKey |
YEWWASHPVCPGDO-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138452
Similarity: 0.8118
Similarity to MM138452
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42708
Similarity: 0.7882
Similarity to MM42708
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240161
Similarity: 0.7188
Similarity to MM240161
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8364 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
