MMsINC Database Search


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MMsINC code: MMs02232382

Type: Neutral
Formula: C₁₅H₁₄O₅S₂

SMILES:

S(=O)(=O)(CC(=O)CS(=O)(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H14O5S2/c16-13(11-21(17,18)14-7-3-1-4-8-14)12-22(19,20)15-9-5-2-6-10-15/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.577 kcal/mol

Physical Properties
Molecular Weight: 338.404 g/mol	logS: -3.79195	SlogP: 1.5033	Reactive groups: 1

Topological Properties
Globularity: 0.0623727	Sterimol/B1: 2.10784	Sterimol/B2: 3.61762	Sterimol/B3: 3.61974
Sterimol/B4: 5.12415	Sterimol/L: 17.5194

Surface and Volume Properties
Accessible surface: 551.472	Positive charged surface: 256.348	Negative charged surface: 295.124	Volume: 284
Hydrophobic surface: 419.762	Hydrophilic surface: 131.71

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.