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MMsINC code: MMs02167183

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S

SMILES:

S(=O)(=O)(N)c1cc(NC(=O)c2ccc(cc2)CC)ccc1

InChI:

InChI=1/C15H16N2O3S/c1-2-11-6-8-12(9-7-11)15(18)17-13-4-3-5-14(10-13)21(16,19)20/h3-10H,2H2,1H3,(H,17,18)(H2,16,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.8497 kcal/mol

Physical Properties
Molecular Weight: 304.37 g/mol	logS: -4.57062	SlogP: 2.14867	Reactive groups: 0

Topological Properties
Globularity: 0.0284433	Sterimol/B1: 2.42081	Sterimol/B2: 3.13684	Sterimol/B3: 3.66232
Sterimol/B4: 5.73285	Sterimol/L: 17.1239

Surface and Volume Properties
Accessible surface: 539.546	Positive charged surface: 293.189	Negative charged surface: 246.356	Volume: 276.625
Hydrophobic surface: 348.645	Hydrophilic surface: 190.901

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02167184
MAYBRIDGE-ZINC04325129