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MMsINC code: MMs03028076

Type: Neutral
Formula: C₆H₆Cl₂N₂O₂S

SMILES:

Clc1cc(N)c(S(=O)(=O)N)cc1Cl

InChI:

InChI=1/C6H6Cl2N2O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,9H2,(H2,10,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.3889 kcal/mol

Physical Properties
Molecular Weight: 241.098 g/mol	logS: -2.80095	SlogP: 1.223	Reactive groups: 0

Topological Properties
Globularity: 0.0902178	Sterimol/B1: 2.90297	Sterimol/B2: 2.98337	Sterimol/B3: 3.41346
Sterimol/B4: 5.6137	Sterimol/L: 11.1256

Surface and Volume Properties
Accessible surface: 370.551	Positive charged surface: 134.63	Negative charged surface: 235.921	Volume: 173.625
Hydrophobic surface: 202.068	Hydrophilic surface: 168.483

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs03028077
PUBCHEM-ZINC03632231