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MMsINC code: MMs02896427

Type: Neutral
Formula: C₁₀H₁₁NO₄S

SMILES:

S(O)(=O)(=O)C(O)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C10H11NO4S/c12-10(16(13,14)15)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10-12H,5H2,(H,13,14,15)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.3494 kcal/mol

Physical Properties
Molecular Weight: 241.267 g/mol	logS: -1.40855	SlogP: 0.35087	Reactive groups: 0

Topological Properties
Globularity: 0.0595676	Sterimol/B1: 2.54993	Sterimol/B2: 2.86866	Sterimol/B3: 3.17783
Sterimol/B4: 6.44573	Sterimol/L: 12.8922

Surface and Volume Properties
Accessible surface: 415.704	Positive charged surface: 208.048	Negative charged surface: 203.225	Volume: 200.875
Hydrophobic surface: 223.997	Hydrophilic surface: 191.707

Pharmacophoric Properties
Hydrogen bond donors: 5	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

MMs02896428
PUBCHEM-ZINC02539441