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DocumentationIdentifier: MM41519
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41519 |
| SMILES |
C#CC(F)C(C)(F)CO
|
| InChIKey |
LFJYGTCVXVOHLG-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137729
Similarity: 0.7143
Similarity to MM137729
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8333 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229835
Similarity: 0.6402
Similarity to MM229835
| Tanimoto metric | 0.6402 |
|---|---|
| Cosine metric | 0.789 |
| Dice metric | 0.7807 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320032
Similarity: 0.6389
Similarity to MM320032
| Tanimoto metric | 0.6389 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7797 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
