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MMsINC code: MMs02176481

Type: Neutral
Formula: C₁₄H₁₅F₆NO₂

SMILES:

FC(F)(F)C(C(=O)Nc1ccc(OCCCC)cc1)C(F)(F)F

InChI:

InChI=1/C14H15F6NO2/c1-2-3-8-23-10-6-4-9(5-7-10)21-12(22)11(13(15,16)17)14(18,19)20/h4-7,11H,2-3,8H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.2894 kcal/mol

Physical Properties
Molecular Weight: 343.267 g/mol	logS: -4.60401	SlogP: 5.3846	Reactive groups: 1

Topological Properties
Globularity: 0.0284816	Sterimol/B1: 3.46398	Sterimol/B2: 3.48934	Sterimol/B3: 3.78006
Sterimol/B4: 3.78749	Sterimol/L: 18.4183

Surface and Volume Properties
Accessible surface: 544.003	Positive charged surface: 265.288	Negative charged surface: 278.715	Volume: 269.875
Hydrophobic surface: 314.976	Hydrophilic surface: 229.027

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.