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MMsINC code: MMs03006596

Type: Neutral
Formula: C₇H₁₀N₂O₄S₂

SMILES:

S(=O)(=O)(N)c1ccc(NS(=O)(=O)C)cc1

InChI:

InChI=1/C7H10N2O4S2/c1-14(10,11)9-6-2-4-7(5-3-6)15(8,12)13/h2-5,9H,1H3,(H2,8,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-3.83925 kcal/mol

Physical Properties
Molecular Weight: 250.299 g/mol	logS: -1.44947	SlogP: -0.2945	Reactive groups: 0

Topological Properties
Globularity: 0.10402	Sterimol/B1: 2.55425	Sterimol/B2: 2.75211	Sterimol/B3: 4.13458
Sterimol/B4: 4.8382	Sterimol/L: 13.0393

Surface and Volume Properties
Accessible surface: 407.233	Positive charged surface: 199.12	Negative charged surface: 208.113	Volume: 189.625
Hydrophobic surface: 182.351	Hydrophilic surface: 224.882

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: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03006597
PUBCHEM-ZINC03191876