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MMsINC code: MMs01448916

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(NC(C(C)C)C(=O)NCc1cc(OC)ccc1)c1ccccc1

InChI:

InChI=1/C19H24N2O4S/c1-14(2)18(21-26(23,24)17-10-5-4-6-11-17)19(22)20-13-15-8-7-9-16(12-15)25-3/h4-12,14,18,21H,13H2,1-3H3,(H,20,22)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2599 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.94446	SlogP: 2.5809	Reactive groups: 0

Topological Properties
Globularity: 0.097887	Sterimol/B1: 3.2758	Sterimol/B2: 3.76361	Sterimol/B3: 4.97217
Sterimol/B4: 5.95234	Sterimol/L: 17.8322

Surface and Volume Properties
Accessible surface: 634.325	Positive charged surface: 380.998	Negative charged surface: 253.327	Volume: 354.5
Hydrophobic surface: 477.865	Hydrophilic surface: 156.46

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.