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MMsINC code: MMs02992994

Type: Neutral
Formula: C₈H₈O₆S

SMILES:

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

InChI:

InChI=1/C8H8O6S/c9-6-3-1-5(2-4-6)7(8(10)11)15(12,13)14/h1-4,7,9H,(H,10,11)(H,12,13,14)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.6146 kcal/mol

Physical Properties
Molecular Weight: 232.212 g/mol	logS: -1.01288	SlogP: -0.0645	Reactive groups: 0

Topological Properties
Globularity: 0.21009	Sterimol/B1: 2.28913	Sterimol/B2: 3.37483	Sterimol/B3: 4.4086
Sterimol/B4: 5.40881	Sterimol/L: 11.2101

Surface and Volume Properties
Accessible surface: 380.9	Positive charged surface: 194.141	Negative charged surface: 186.759	Volume: 174
Hydrophobic surface: 139.808	Hydrophilic surface: 241.092

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	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

MMs02992995
PUBCHEM-ZINC03096221