MMsINC Database Search


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MMsINC code: MMs02181411

Type: Neutral
Formula: C₁₄H₁₀O₂S

SMILES:

S(C1OC(=O)c2c1cccc2)c1ccccc1

InChI:

InChI=1/C14H10O2S/c15-13-11-8-4-5-9-12(11)14(16-13)17-10-6-2-1-3-7-10/h1-9,14H/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0877 kcal/mol

Physical Properties
Molecular Weight: 242.298 g/mol	logS: -4.58548	SlogP: 3.7434	Reactive groups: 0

Topological Properties
Globularity: 0.0544064	Sterimol/B1: 2.77836	Sterimol/B2: 3.38378	Sterimol/B3: 3.98874
Sterimol/B4: 4.55021	Sterimol/L: 14.5027

Surface and Volume Properties
Accessible surface: 441.822	Positive charged surface: 214.785	Negative charged surface: 227.037	Volume: 224.125
Hydrophobic surface: 350.65	Hydrophilic surface: 91.172

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.