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MMsINC code: MMs02907712

Type: Neutral
Formula: C₁₉H₂₁F₃N₄O₂

SMILES:

FC(F)(F)c1cc(NC(=O)CNCc2ncccc2)c(N2CCOCC2)cc1

InChI:

InChI=1/C19H21F3N4O2/c20-19(21,22)14-4-5-17(26-7-9-28-10-8-26)16(11-14)25-18(27)13-23-12-15-3-1-2-6-24-15/h1-6,11,23H,7-10,12-13H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=182.164 kcal/mol

Physical Properties
Molecular Weight: 394.397 g/mol	logS: -3.29203	SlogP: 3.2432	Reactive groups: 0

Topological Properties
Globularity: 0.061953	Sterimol/B1: 2.94067	Sterimol/B2: 4.67297	Sterimol/B3: 5.1427
Sterimol/B4: 6.57809	Sterimol/L: 17.1994

Surface and Volume Properties
Accessible surface: 660.683	Positive charged surface: 426.446	Negative charged surface: 234.237	Volume: 350.5
Hydrophobic surface: 464.405	Hydrophilic surface: 196.278

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.