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MMsINC code: MMs02781585

Type: Neutral
Formula: C₂₀H₁₆Cl₂N₂O₄S

SMILES:

Clc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1OC

InChI:

InChI=1/C20H16Cl2N2O4S/c1-28-19-11-10-13(29(26,27)24-18-9-5-3-7-16(18)22)12-14(19)20(25)23-17-8-4-2-6-15(17)21/h2-12,24H,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.034 kcal/mol

Physical Properties
Molecular Weight: 451.33 g/mol	logS: -6.53567	SlogP: 5.0551	Reactive groups: 0

Topological Properties
Globularity: 0.181519	Sterimol/B1: 2.16741	Sterimol/B2: 3.89985	Sterimol/B3: 5.4927
Sterimol/B4: 10.5017	Sterimol/L: 15.1074

Surface and Volume Properties
Accessible surface: 637.197	Positive charged surface: 303.416	Negative charged surface: 333.781	Volume: 373.875
Hydrophobic surface: 536.341	Hydrophilic surface: 100.856

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.