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MMsINC code: MMs01326860

Type: Neutral
Formula: C₁₆H₁₂ClF₂NO₄

SMILES:

Clc1cc(F)c(F)cc1C(OCC(=O)Nc1ccccc1OC)=O

InChI:

InChI=1/C16H12ClF2NO4/c1-23-14-5-3-2-4-13(14)20-15(21)8-24-16(22)9-6-11(18)12(19)7-10(9)17/h2-7H,8H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5866 kcal/mol

Physical Properties
Molecular Weight: 355.724 g/mol	logS: -5.13767	SlogP: 3.4223	Reactive groups: 0

Topological Properties
Globularity: 0.014401	Sterimol/B1: 2.38684	Sterimol/B2: 2.90672	Sterimol/B3: 3.52869
Sterimol/B4: 6.96051	Sterimol/L: 17.2546

Surface and Volume Properties
Accessible surface: 570.228	Positive charged surface: 310.986	Negative charged surface: 259.242	Volume: 289.75
Hydrophobic surface: 493.08	Hydrophilic surface: 77.148

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.