MMsINC Database Search


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MMsINC code: MMs01725333

Type: Ionized
Formula: C₆H₄Cl₂N₂O₄S₂-2

SMILES:

Clc1c(S(=O)([O-])=[NH])cc(S(=O)([O-])=[NH])cc1Cl

InChI:

InChI=1/C6H4Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2-2,9,10,11,12,13,14)/q-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.4038 kcal/mol

Physical Properties
Molecular Weight: 303.146 g/mol	logS: -3.35546	SlogP: 0.9366	Reactive groups: 0

Topological Properties
Globularity: 0.091388	Sterimol/B1: 3.04023	Sterimol/B2: 3.39909	Sterimol/B3: 3.54482
Sterimol/B4: 6.57436	Sterimol/L: 11.0851

Surface and Volume Properties
Accessible surface: 410.55	Positive charged surface: 73.1286	Negative charged surface: 337.421	Volume: 197
Hydrophobic surface: 200.675	Hydrophilic surface: 209.875

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	Acid groups: 6	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

search links for this molecule:

Parent related molecule:

MMs01725332
FDA-ZINC00896918