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MMsINC code: MMs00055622

Type: Neutral
Formula: C₁₀H₆F₆O₂

SMILES:

FC(F)(F)c1cc(ccc1CC(O)=O)C(F)(F)F

InChI:

InChI=1/C10H6F6O2/c11-9(12,13)6-2-1-5(3-8(17)18)7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7235 kcal/mol

Physical Properties
Molecular Weight: 272.144 g/mol	logS: -3.52885	SlogP: 3.97427	Reactive groups: 0

Topological Properties
Globularity: 0.106476	Sterimol/B1: 2.56155	Sterimol/B2: 2.80911	Sterimol/B3: 3.55837
Sterimol/B4: 6.12346	Sterimol/L: 11.6175

Surface and Volume Properties
Accessible surface: 391.856	Positive charged surface: 120.869	Negative charged surface: 270.988	Volume: 187.25
Hydrophobic surface: 119.885	Hydrophilic surface: 271.971

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00055623
APOLLO-ZINC02584341