MMsINC Database Search


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MMsINC code: MMs02222061

Type: Neutral
Formula: C₁₆H₁₂F₆O₂

SMILES:

FC(F)(F)C(O)(C(O)(C(F)(F)F)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H12F6O2/c17-15(18,19)13(23,11-7-3-1-4-8-11)14(24,16(20,21)22)12-9-5-2-6-10-12/h1-10,23-24H/t13-,14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.712 kcal/mol

Physical Properties
Molecular Weight: 350.258 g/mol	logS: -4.88724	SlogP: 5.3494	Reactive groups: 0

Topological Properties
Globularity: 0.137565	Sterimol/B1: 3.55717	Sterimol/B2: 3.84793	Sterimol/B3: 4.2612
Sterimol/B4: 4.5735	Sterimol/L: 14.2445

Surface and Volume Properties
Accessible surface: 462.863	Positive charged surface: 188.968	Negative charged surface: 273.895	Volume: 266.25
Hydrophobic surface: 299.761	Hydrophilic surface: 163.102

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

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

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Ions/Tautomers related molecules: no related molecules available.