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DocumentationIdentifier: MM114904
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114904 |
| SMILES |
C#CC(F)=CC=CF
|
| InChIKey |
SZNNZHZBPUZRMJ-UHFFFAOYSA-N
|
| MW [Da] |
114.09
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98384
Similarity: 0.8364
Similarity to MM98384
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 96.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146780
Similarity: 0.7857
Similarity to MM146780
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 132.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114903
Similarity: 0.7619
Similarity to MM114903
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8649 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+582 more
