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MMsINC code: MMs01308603

Type: Neutral
Formula: C₂₀H₁₆BrClN₂O₃S

SMILES:

Brc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cc(Cl)ccc2)cc1

InChI:

InChI=1/C20H16BrClN2O3S/c21-15-8-10-17(11-9-15)28(26,27)24-19-7-2-1-6-18(19)20(25)23-13-14-4-3-5-16(22)12-14/h1-12,24H,13H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.495 kcal/mol

Physical Properties
Molecular Weight: 479.782 g/mol	logS: -6.78543	SlogP: 5.0997	Reactive groups: 0

Topological Properties
Globularity: 0.141842	Sterimol/B1: 2.30607	Sterimol/B2: 2.90276	Sterimol/B3: 6.78003
Sterimol/B4: 8.96896	Sterimol/L: 15.6602

Surface and Volume Properties
Accessible surface: 678.724	Positive charged surface: 273.967	Negative charged surface: 404.758	Volume: 377.125
Hydrophobic surface: 574.807	Hydrophilic surface: 103.917

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.