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MMsINC code: MMs01295288

Type: Neutral
Formula: C₁₉H₁₉F₃N₂O₂

SMILES:

Fc1cccc(F)c1C(=O)NCC(N1CCOCC1)c1ccc(F)cc1

InChI:

InChI=1/C19H19F3N2O2/c20-14-6-4-13(5-7-14)17(24-8-10-26-11-9-24)12-23-19(25)18-15(21)2-1-3-16(18)22/h1-7,17H,8-12H2,(H,23,25)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.1828 kcal/mol

Physical Properties
Molecular Weight: 364.367 g/mol	logS: -4.37322	SlogP: 3.0027	Reactive groups: 0

Topological Properties
Globularity: 0.0891859	Sterimol/B1: 3.09373	Sterimol/B2: 3.87383	Sterimol/B3: 4.63181
Sterimol/B4: 7.18157	Sterimol/L: 15.8462

Surface and Volume Properties
Accessible surface: 592.246	Positive charged surface: 350.28	Negative charged surface: 241.966	Volume: 325.625
Hydrophobic surface: 545.822	Hydrophilic surface: 46.424

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01295289
ENAMINE-ZINC03174495