MMsINC Database Search


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MMsINC code: MMs02249439

Type: Neutral
Formula: C₈H₁₀O₃S

SMILES:

S(OC)(=O)(=O)Cc1ccccc1

InChI:

InChI=1/C8H10O3S/c1-11-12(9,10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.2735 kcal/mol

Physical Properties
Molecular Weight: 186.231 g/mol	logS: -1.72417	SlogP: 1.4292	Reactive groups: 1

Topological Properties
Globularity: 0.0751325	Sterimol/B1: 2.71819	Sterimol/B2: 3.43091	Sterimol/B3: 3.58131
Sterimol/B4: 4.00616	Sterimol/L: 12.1753

Surface and Volume Properties
Accessible surface: 361.297	Positive charged surface: 211.843	Negative charged surface: 149.454	Volume: 163.375
Hydrophobic surface: 287.597	Hydrophilic surface: 73.7

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.