MMsINC Database Search


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MMsINC code: MMs01366948

Type: Neutral
Formula: C₁₄H₁₄O₂S

SMILES:

S(=O)(=O)(Cc1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C14H14O2S/c1-12-7-9-13(10-8-12)11-17(15,16)14-5-3-2-4-6-14/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.4297 kcal/mol

Physical Properties
Molecular Weight: 246.33 g/mol	logS: -3.76739	SlogP: 3.23532	Reactive groups: 0

Topological Properties
Globularity: 0.029852	Sterimol/B1: 2.96991	Sterimol/B2: 3.15724	Sterimol/B3: 3.6173
Sterimol/B4: 3.61876	Sterimol/L: 15.5023

Surface and Volume Properties
Accessible surface: 468.731	Positive charged surface: 247.86	Negative charged surface: 220.87	Volume: 235.625
Hydrophobic surface: 419.537	Hydrophilic surface: 49.194

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.