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MMsINC code: MMs01328113

Type: Neutral
Formula: C₁₉H₂₀F₃N₃O₃

SMILES:

FC(F)(F)c1cc(Nc2ncccc2C(OCC(=O)NCC(C)C)=O)ccc1

InChI:

InChI=1/C19H20F3N3O3/c1-12(2)10-24-16(26)11-28-18(27)15-7-4-8-23-17(15)25-14-6-3-5-13(9-14)19(20,21)22/h3-9,12H,10-11H2,1-2H3,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9037 kcal/mol

Physical Properties
Molecular Weight: 395.381 g/mol	logS: -4.39992	SlogP: 4.0845	Reactive groups: 0

Topological Properties
Globularity: 0.0196681	Sterimol/B1: 2.83126	Sterimol/B2: 3.82217	Sterimol/B3: 5.50627
Sterimol/B4: 6.65375	Sterimol/L: 20.0512

Surface and Volume Properties
Accessible surface: 668.875	Positive charged surface: 385.722	Negative charged surface: 283.154	Volume: 350.375
Hydrophobic surface: 432.741	Hydrophilic surface: 236.134

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.