MMsINC Database Search


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MMsINC code: MMs00057652

Type: Neutral
Formula: C₁₁H₁₀OS

SMILES:

s1cccc1-c1ccc(cc1)CO

InChI:

InChI=1/C11H10OS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7,12H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.2427 kcal/mol

Physical Properties
Molecular Weight: 190.266 g/mol	logS: -3.20483	SlogP: 3.1738	Reactive groups: 0

Topological Properties
Globularity: 0.0169018	Sterimol/B1: 2.34355	Sterimol/B2: 2.80041	Sterimol/B3: 3.05215
Sterimol/B4: 4.41569	Sterimol/L: 13.4656

Surface and Volume Properties
Accessible surface: 390.334	Positive charged surface: 200.029	Negative charged surface: 190.305	Volume: 185.5
Hydrophobic surface: 326.497	Hydrophilic surface: 63.837

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.