MMsINC Database Search


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MMsINC code: MMs00623730

Type: Neutral
Formula: C₁₆H₁₃F₃N₂O₂

SMILES:

FC(F)(F)C(=O)Nc1ccccc1C(=O)N(C)c1ccccc1

InChI:

InChI=1/C16H13F3N2O2/c1-21(11-7-3-2-4-8-11)14(22)12-9-5-6-10-13(12)20-15(23)16(17,18)19/h2-10H,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.831 kcal/mol

Physical Properties
Molecular Weight: 322.286 g/mol	logS: -4.53396	SlogP: 3.8839	Reactive groups: 0

Topological Properties
Globularity: 0.084582	Sterimol/B1: 2.4098	Sterimol/B2: 3.5843	Sterimol/B3: 4.36745
Sterimol/B4: 7.37773	Sterimol/L: 13.3999

Surface and Volume Properties
Accessible surface: 516.949	Positive charged surface: 241.806	Negative charged surface: 275.144	Volume: 273.125
Hydrophobic surface: 357.058	Hydrophilic surface: 159.891

Pharmacophoric Properties
Hydrogen bond donors: 1	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.