MMsINC Database Search


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MMsINC code: MMs02058903

Type: Neutral
Formula: C₁₆H₁₅NO₄S₄

SMILES:

s1cccc1C(S(=O)(=O)c1ccccc1)CNS(=O)(=O)c1sccc1

InChI:

InChI=1/C16H15NO4S4/c18-24(19,13-6-2-1-3-7-13)15(14-8-4-10-22-14)12-17-25(20,21)16-9-5-11-23-16/h1-11,15,17H,12H2/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.872 kcal/mol

Physical Properties
Molecular Weight: 413.563 g/mol	logS: -4.69747	SlogP: 3.3986	Reactive groups: 0

Topological Properties
Globularity: 0.126386	Sterimol/B1: 3.12864	Sterimol/B2: 3.19375	Sterimol/B3: 5.19799
Sterimol/B4: 7.46906	Sterimol/L: 15.6133

Surface and Volume Properties
Accessible surface: 590.602	Positive charged surface: 243.754	Negative charged surface: 346.848	Volume: 335
Hydrophobic surface: 474.382	Hydrophilic surface: 116.22

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.