MMsINC Database Search


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MMsINC code: MMs02779506

Type: Neutral
Formula: C₁₃H₁₂Cl₂N₂O₄S₂

SMILES:

Clc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NS(=O)(=O)C)cc1

InChI:

InChI=1/C13H12Cl2N2O4S2/c1-22(18,19)16-10-3-5-11(6-4-10)23(20,21)17-13-7-2-9(14)8-12(13)15/h2-8,16-17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.967 kcal/mol

Physical Properties
Molecular Weight: 395.287 g/mol	logS: -4.35328	SlogP: 3.1657	Reactive groups: 0

Topological Properties
Globularity: 0.141459	Sterimol/B1: 3.45017	Sterimol/B2: 5.19451	Sterimol/B3: 5.55174
Sterimol/B4: 5.65616	Sterimol/L: 13.797

Surface and Volume Properties
Accessible surface: 555.993	Positive charged surface: 205.087	Negative charged surface: 350.906	Volume: 301.125
Hydrophobic surface: 388.744	Hydrophilic surface: 167.249

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.