MMsINC Database Search


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MMsINC code: MMs01385798

Type: Neutral
Formula: C₁₆H₂₁F₃N₂O₂

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)N(CC(=O)NC(C)(C)C)CC

InChI:

InChI=1/C16H21F3N2O2/c1-5-21(10-13(22)20-15(2,3)4)14(23)11-6-8-12(9-7-11)16(17,18)19/h6-9H,5,10H2,1-4H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1822 kcal/mol

Physical Properties
Molecular Weight: 330.35 g/mol	logS: -3.96298	SlogP: 3.3937	Reactive groups: 0

Topological Properties
Globularity: 0.113177	Sterimol/B1: 2.42317	Sterimol/B2: 2.75477	Sterimol/B3: 3.83969
Sterimol/B4: 10.1006	Sterimol/L: 12.9292

Surface and Volume Properties
Accessible surface: 538.43	Positive charged surface: 290.119	Negative charged surface: 248.311	Volume: 301
Hydrophobic surface: 311.74	Hydrophilic surface: 226.69

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.