MMsINC Database Search


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MMsINC code: MMs02349281

Type: Neutral
Formula: C₁₅H₁₄O₂S

SMILES:

S(=O)(=O)(C1CC1c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H14O2S/c16-18(17,13-9-5-2-6-10-13)15-11-14(15)12-7-3-1-4-8-12/h1-10,14-15H,11H2/t14-,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.2093 kcal/mol

Physical Properties
Molecular Weight: 258.341 g/mol	logS: -3.58011	SlogP: 3.0164	Reactive groups: 0

Topological Properties
Globularity: 0.149416	Sterimol/B1: 2.21237	Sterimol/B2: 3.31406	Sterimol/B3: 4.51279
Sterimol/B4: 5.92623	Sterimol/L: 14.1126

Surface and Volume Properties
Accessible surface: 464.671	Positive charged surface: 244.392	Negative charged surface: 220.279	Volume: 246.875
Hydrophobic surface: 413.238	Hydrophilic surface: 51.433

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.