MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03298167

Type: Neutral
Formula: C₁₁H₁₀O₃S

SMILES:

S(O)(=O)c1c2c(ccc1OC)cccc2

InChI:

InChI=1/C11H10O3S/c1-14-10-7-6-8-4-2-3-5-9(8)11(10)15(12)13/h2-7H,1H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.627 kcal/mol

Physical Properties
Molecular Weight: 222.264 g/mol	logS: -3.51269	SlogP: 1.8633	Reactive groups: 0

Topological Properties
Globularity: 0.0264905	Sterimol/B1: 2.4872	Sterimol/B2: 3.12048	Sterimol/B3: 3.61335
Sterimol/B4: 5.55674	Sterimol/L: 12.2676

Surface and Volume Properties
Accessible surface: 403.958	Positive charged surface: 244.459	Negative charged surface: 147.571	Volume: 196
Hydrophobic surface: 307.369	Hydrophilic surface: 96.589

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.