MMsINC Database Search


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MMsINC code: MMs02358174

Type: Neutral
Formula: C₁₆H₁₈O₂S

SMILES:

S(=O)(=O)(CCc1ccccc1)CCc1ccccc1

InChI:

InChI=1/C16H18O2S/c17-19(18,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.5966 kcal/mol

Physical Properties
Molecular Weight: 274.384 g/mol	logS: -3.36045	SlogP: 2.88654	Reactive groups: 0

Topological Properties
Globularity: 0.0849636	Sterimol/B1: 2.16802	Sterimol/B2: 3.61724	Sterimol/B3: 3.63705
Sterimol/B4: 5.57532	Sterimol/L: 16.709

Surface and Volume Properties
Accessible surface: 534.489	Positive charged surface: 284.93	Negative charged surface: 249.559	Volume: 269.125
Hydrophobic surface: 476.87	Hydrophilic surface: 57.619

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules: no related molecules available.