MMsINC Database Search


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MMsINC code: MMs02611239

Type: Neutral
Formula: C₁₄H₁₅NO₂S

SMILES:

S(=O)(=O)(C)c1ccc(NCc2ccccc2)cc1

InChI:

InChI=1/C14H15NO2S/c1-18(16,17)14-9-7-13(8-10-14)15-11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.824 kcal/mol

Physical Properties
Molecular Weight: 261.345 g/mol	logS: -3.08993	SlogP: 2.9686	Reactive groups: 0

Topological Properties
Globularity: 0.0686092	Sterimol/B1: 2.58951	Sterimol/B2: 3.52963	Sterimol/B3: 3.7752
Sterimol/B4: 4.48361	Sterimol/L: 16.5128

Surface and Volume Properties
Accessible surface: 491.058	Positive charged surface: 264.416	Negative charged surface: 226.642	Volume: 246.625
Hydrophobic surface: 405.704	Hydrophilic surface: 85.354

Pharmacophoric Properties
Hydrogen bond donors: 1	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.