MMsINC Database Search


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MMsINC code: MMs00502833

Type: Neutral
Formula: C₁₂H₁₀F₆N₂O₂

SMILES:

FC(F)(F)C(=O)NCc1cc(ccc1)CNC(=O)C(F)(F)F

InChI:

InChI=1/C12H10F6N2O2/c13-11(14,15)9(21)19-5-7-2-1-3-8(4-7)6-20-10(22)12(16,17)18/h1-4H,5-6H2,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8981 kcal/mol

Physical Properties
Molecular Weight: 328.212 g/mol	logS: -3.84312	SlogP: 3.4162	Reactive groups: 0

Topological Properties
Globularity: 0.0966722	Sterimol/B1: 2.25404	Sterimol/B2: 2.25978	Sterimol/B3: 4.47494
Sterimol/B4: 7.48484	Sterimol/L: 14.4316

Surface and Volume Properties
Accessible surface: 517.088	Positive charged surface: 186.073	Negative charged surface: 331.015	Volume: 244
Hydrophobic surface: 187.358	Hydrophilic surface: 329.73

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: no related molecules available.