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MMsINC code: MMs01433835

Type: Neutral
Formula: C₁₆H₁₂ClF₄NO₂

SMILES:

Clc1ccc(cc1)CCNC(=O)COc1c(F)c(F)cc(F)c1F

InChI:

InChI=1/C16H12ClF4NO2/c17-10-3-1-9(2-4-10)5-6-22-13(23)8-24-16-14(20)11(18)7-12(19)15(16)21/h1-4,7H,5-6,8H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.3944 kcal/mol

Physical Properties
Molecular Weight: 361.722 g/mol	logS: -5.35141	SlogP: 3.63407	Reactive groups: 0

Topological Properties
Globularity: 0.0229517	Sterimol/B1: 2.66999	Sterimol/B2: 2.91747	Sterimol/B3: 3.56305
Sterimol/B4: 5.06657	Sterimol/L: 19.9276

Surface and Volume Properties
Accessible surface: 581.533	Positive charged surface: 263.498	Negative charged surface: 318.035	Volume: 288.875
Hydrophobic surface: 520.695	Hydrophilic surface: 60.838

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.