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MMsINC code: MMs02107636

Type: Neutral
Formula: C₁₇H₁₇F₃N₂O₂

SMILES:

FC(F)(F)C(O)CN(Cc1ccccc1)C(=O)Nc1ccccc1

InChI:

InChI=1/C17H17F3N2O2/c18-17(19,20)15(23)12-22(11-13-7-3-1-4-8-13)16(24)21-14-9-5-2-6-10-14/h1-10,15,23H,11-12H2,(H,21,24)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0966 kcal/mol

Physical Properties
Molecular Weight: 338.329 g/mol	logS: -3.97055	SlogP: 4.3302	Reactive groups: 0

Topological Properties
Globularity: 0.137941	Sterimol/B1: 2.90297	Sterimol/B2: 2.91831	Sterimol/B3: 4.57107
Sterimol/B4: 9.75383	Sterimol/L: 14.5214

Surface and Volume Properties
Accessible surface: 556.181	Positive charged surface: 271.594	Negative charged surface: 284.587	Volume: 300
Hydrophobic surface: 401.96	Hydrophilic surface: 154.221

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

MMs02107637
KEYORGANICS-ZINC01402810