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MMsINC code: MMs01337590

Type: Neutral
Formula: C₁₃H₁₁Cl₂N₃O₄S₂

SMILES:

Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)c1ccc(Cl)cc1

InChI:

InChI=1/C13H11Cl2N3O4S2/c14-8-3-1-7(2-4-8)13-17-10-5-9(15)11(23(16,19)20)6-12(10)24(21,22)18-13/h1-6,13,17-18H,(H2,16,19,20)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-6.36971 kcal/mol

Physical Properties
Molecular Weight: 408.286 g/mol	logS: -4.51198	SlogP: 2.1389	Reactive groups: 0

Topological Properties
Globularity: 0.232154	Sterimol/B1: 3.22751	Sterimol/B2: 4.92265	Sterimol/B3: 5.11587
Sterimol/B4: 5.84311	Sterimol/L: 13.1925

Surface and Volume Properties
Accessible surface: 539.277	Positive charged surface: 218.579	Negative charged surface: 320.699	Volume: 296
Hydrophobic surface: 313.894	Hydrophilic surface: 225.383

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

MMs01337591
ENAMINE-ZINC03262534