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MMsINC code: MMs02748484

Type: Neutral
Formula: C₂₀H₂₂Cl₂N₂O₄S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCOCC1

InChI:

InChI=1/C20H22Cl2N2O4S/c21-17-6-7-18(22)19(14-17)29(26,27)24(9-8-16-4-2-1-3-5-16)15-20(25)23-10-12-28-13-11-23/h1-7,14H,8-13,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5 kcal/mol

Physical Properties
Molecular Weight: 457.378 g/mol	logS: -4.95445	SlogP: 3.08557	Reactive groups: 0

Topological Properties
Globularity: 0.141882	Sterimol/B1: 2.66031	Sterimol/B2: 3.2656	Sterimol/B3: 5.78356
Sterimol/B4: 9.85699	Sterimol/L: 15.3398

Surface and Volume Properties
Accessible surface: 656.933	Positive charged surface: 367.003	Negative charged surface: 289.93	Volume: 393.125
Hydrophobic surface: 581.399	Hydrophilic surface: 75.534

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.