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DocumentationIdentifier: MM40390
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40390 |
| SMILES |
N#CCC(F)(F)CC#N
|
| InChIKey |
QAPGNMVEINXLHZ-UHFFFAOYSA-N
|
| MW [Da] |
130.1
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103006
Similarity: 0.931
Similarity to MM103006
| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9649 |
| Dice metric | 0.9643 |
| MW: | 119.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25548
Similarity: 0.7241
Similarity to MM25548
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 105.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132368
Similarity: 0.6429
Similarity to MM132368
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7927 |
| Dice metric | 0.7826 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
