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MMsINC code: MMs01816793

Type: Neutral
Formula: C₁₅H₁₉F₃N₂O₃

SMILES:

FC(F)(F)C(NCc1ccccc1)(NC(=O)CC)C(OCC)=O

InChI:

InChI=1/C15H19F3N2O3/c1-3-12(21)20-14(15(16,17)18,13(22)23-4-2)19-10-11-8-6-5-7-9-11/h5-9,19H,3-4,10H2,1-2H3,(H,20,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4259 kcal/mol

Physical Properties
Molecular Weight: 332.322 g/mol	logS: -3.38141	SlogP: 2.8104	Reactive groups: 1

Topological Properties
Globularity: 0.138878	Sterimol/B1: 2.42611	Sterimol/B2: 3.76783	Sterimol/B3: 4.02861
Sterimol/B4: 8.6414	Sterimol/L: 15.3337

Surface and Volume Properties
Accessible surface: 554.129	Positive charged surface: 306.804	Negative charged surface: 247.326	Volume: 295
Hydrophobic surface: 373.507	Hydrophilic surface: 180.622

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.