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MMsINC code: MMs02883226

Type: Neutral
Formula: C₁₀H₈O₄S

SMILES:

S(O)(=O)(=O)c1c2c(cc(O)cc2)ccc1

InChI:

InChI=1/C10H8O4S/c11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14/h1-6,11H,(H,12,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.6751 kcal/mol

Physical Properties
Molecular Weight: 224.236 g/mol	logS: -2.95088	SlogP: 1.2264	Reactive groups: 0

Topological Properties
Globularity: 0.0302895	Sterimol/B1: 2.4583	Sterimol/B2: 2.49087	Sterimol/B3: 3.29686
Sterimol/B4: 6.60048	Sterimol/L: 11.6322

Surface and Volume Properties
Accessible surface: 383.645	Positive charged surface: 172.176	Negative charged surface: 200.398	Volume: 181.875
Hydrophobic surface: 219.191	Hydrophilic surface: 164.454

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02883227
PUBCHEM-ZINC02187161