MMsINC Database Search


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MMsINC code: MMs02766364

Type: Neutral
Formula: C₁₈H₁₂Cl₄N₂O₄S₂

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1NS(=O)(=O)c1ccc(Cl)cc1

InChI:

InChI=1/C18H12Cl4N2O4S2/c19-11-1-5-14(6-2-11)29(25,26)23-13-9-16(21)18(17(22)10-13)24-30(27,28)15-7-3-12(20)4-8-15/h1-10,23-24H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9942 kcal/mol

Physical Properties
Molecular Weight: 526.248 g/mol	logS: -7.64572	SlogP: 5.9018	Reactive groups: 0

Topological Properties
Globularity: 0.103414	Sterimol/B1: 3.01822	Sterimol/B2: 4.77237	Sterimol/B3: 5.30928
Sterimol/B4: 6.14281	Sterimol/L: 17.0704

Surface and Volume Properties
Accessible surface: 662.556	Positive charged surface: 210.028	Negative charged surface: 452.528	Volume: 391.375
Hydrophobic surface: 514.441	Hydrophilic surface: 148.115

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: 0	Violations of Lipinski's rule: 2	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.