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MMsINC code: MMs00485491

Type: Neutral
Formula: C₁₃H₁₃F₃N₂O₂

SMILES:

FC(F)(F)C(=O)NCCc1c2cc(OC)ccc2[nH]c1

InChI:

InChI=1/C13H13F3N2O2/c1-20-9-2-3-11-10(6-9)8(7-18-11)4-5-17-12(19)13(14,15)16/h2-3,6-7,18H,4-5H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1237 kcal/mol

Physical Properties
Molecular Weight: 286.253 g/mol	logS: -3.01575	SlogP: 2.81737	Reactive groups: 0

Topological Properties
Globularity: 0.046492	Sterimol/B1: 2.54756	Sterimol/B2: 3.10361	Sterimol/B3: 3.6519
Sterimol/B4: 7.61913	Sterimol/L: 14.5816

Surface and Volume Properties
Accessible surface: 500.914	Positive charged surface: 269.835	Negative charged surface: 226.215	Volume: 241.875
Hydrophobic surface: 280.723	Hydrophilic surface: 220.191

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.