MMsINC Database Search


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MMsINC code: MMs02867329

Type: Neutral
Formula: C₈H₁₀O₄S

SMILES:

S(Oc1ccc(OC)cc1)(=O)(=O)C

InChI:

InChI=1/C8H10O4S/c1-11-7-3-5-8(6-4-7)12-13(2,9)10/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.3865 kcal/mol

Physical Properties
Molecular Weight: 202.23 g/mol	logS: -1.70873	SlogP: 1.0336	Reactive groups: 0

Topological Properties
Globularity: 0.0601847	Sterimol/B1: 2.66172	Sterimol/B2: 2.84122	Sterimol/B3: 3.07993
Sterimol/B4: 4.94265	Sterimol/L: 12.5463

Surface and Volume Properties
Accessible surface: 376.304	Positive charged surface: 216.362	Negative charged surface: 159.942	Volume: 169.875
Hydrophobic surface: 284.361	Hydrophilic surface: 91.943

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.