MMsINC Database Search


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MMsINC code: MMs01303067

Type: Neutral
Formula: C₁₁H₉F₆NO₂

SMILES:

FC(F)(F)C(O)(C(F)(F)F)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C11H9F6NO2/c1-6(19)18-8-4-2-7(3-5-8)9(20,10(12,13)14)11(15,16)17/h2-5,20H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1975 kcal/mol

Physical Properties
Molecular Weight: 301.186 g/mol	logS: -3.53133	SlogP: 4.1085	Reactive groups: 0

Topological Properties
Globularity: 0.0834498	Sterimol/B1: 3.6572	Sterimol/B2: 3.77795	Sterimol/B3: 3.91651
Sterimol/B4: 3.96483	Sterimol/L: 13.533

Surface and Volume Properties
Accessible surface: 435.67	Positive charged surface: 170.843	Negative charged surface: 264.828	Volume: 214.875
Hydrophobic surface: 187.975	Hydrophilic surface: 247.695

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.