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MMsINC code: MMs02812117

Type: Neutral
Formula: C₈H₇Cl₄N₃O₄S₂

SMILES:

Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C(Cl)(Cl)Cl

InChI:

InChI=1/C8H7Cl4N3O4S2/c9-3-1-4-6(2-5(3)20(13,16)17)21(18,19)15-7(14-4)8(10,11)12/h1-2,7,14-15H,(H2,13,16,17)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.667 kcal/mol

Physical Properties
Molecular Weight: 415.105 g/mol	logS: -4.41755	SlogP: 1.8074	Reactive groups: 0

Topological Properties
Globularity: 0.130105	Sterimol/B1: 2.52258	Sterimol/B2: 2.78779	Sterimol/B3: 4.57158
Sterimol/B4: 6.22819	Sterimol/L: 12.9546

Surface and Volume Properties
Accessible surface: 483.591	Positive charged surface: 151.595	Negative charged surface: 331.997	Volume: 264.625
Hydrophobic surface: 123.605	Hydrophilic surface: 359.986

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02812118
PUBCHEM-ZINC01481928