MMsINC Database Search


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MMsINC code: MMs03452594

Type: Neutral
Formula: C₁₀H₈O₄S

SMILES:

S(O)(=O)(=O)c1cc(O)cc2c1cccc2

InChI:

InChI=1/C10H8O4S/c11-8-5-7-3-1-2-4-9(7)10(6-8)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)=36.8113 kcal/mol

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

Topological Properties
Globularity: 0.0345212	Sterimol/B1: 2.40895	Sterimol/B2: 3.3423	Sterimol/B3: 3.742
Sterimol/B4: 5.89226	Sterimol/L: 11.0389

Surface and Volume Properties
Accessible surface: 385.955	Positive charged surface: 171.376	Negative charged surface: 203.508	Volume: 181.625
Hydrophobic surface: 222.382	Hydrophilic surface: 163.573

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

MMs03452595
PUBCHEM-ZINC05935114