MMsINC Database Search


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MMsINC code: MMs02438876

Type: Neutral
Formula: C₁₀H₈O₅S₂

SMILES:

S(O)(=O)c1cc2cc(S(O)=O)ccc2cc1O

InChI:

InChI=1/C10H8O5S2/c11-9-4-6-1-2-8(16(12)13)3-7(6)5-10(9)17(14)15/h1-5,11H,(H,12,13)(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7859 kcal/mol

Physical Properties
Molecular Weight: 272.301 g/mol	logS: -3.29991	SlogP: 0.5752	Reactive groups: 0

Topological Properties
Globularity: 0.0255607	Sterimol/B1: 2.56417	Sterimol/B2: 3.19553	Sterimol/B3: 3.2758
Sterimol/B4: 5.45061	Sterimol/L: 14.1768

Surface and Volume Properties
Accessible surface: 426.63	Positive charged surface: 231.542	Negative charged surface: 184.017	Volume: 206.875
Hydrophobic surface: 178.644	Hydrophilic surface: 247.986

Pharmacophoric Properties
Hydrogen bond donors: 3	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02438877
NCID-ZINC05085504