MMsINC Database Search


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MMsINC code: MMs00177162

Type: Neutral
Formula: C₁₆H₁₄N₂O₄S₃

SMILES:

s1cccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1

InChI:

InChI=1/C16H14N2O4S3/c19-24(20,17-13-5-2-1-3-6-13)15-10-8-14(9-11-15)18-25(21,22)16-7-4-12-23-16/h1-12,17-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3885 kcal/mol

Physical Properties
Molecular Weight: 394.496 g/mol	logS: -4.67357	SlogP: 3.3497	Reactive groups: 0

Topological Properties
Globularity: 0.13682	Sterimol/B1: 3.25565	Sterimol/B2: 3.55526	Sterimol/B3: 4.97898
Sterimol/B4: 6.41305	Sterimol/L: 15.0069

Surface and Volume Properties
Accessible surface: 582.521	Positive charged surface: 260.528	Negative charged surface: 321.994	Volume: 320.5
Hydrophobic surface: 418.554	Hydrophilic surface: 163.967

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: no related molecules available.