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MMsINC code: MMs01502312

Type: Neutral
Formula: C₁₉H₂₂N₂O₄S₂

SMILES:

S(C)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(cc2)C)ccc1

InChI:

InChI=1/C19H22N2O4S2/c1-14-6-7-15(19(22)20-16-4-3-5-17(13-16)26-2)12-18(14)27(23,24)21-8-10-25-11-9-21/h3-7,12-13H,8-11H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.55 kcal/mol

Physical Properties
Molecular Weight: 406.527 g/mol	logS: -4.74178	SlogP: 2.99012	Reactive groups: 0

Topological Properties
Globularity: 0.0460609	Sterimol/B1: 2.91997	Sterimol/B2: 3.43338	Sterimol/B3: 4.50627
Sterimol/B4: 6.884	Sterimol/L: 19.2866

Surface and Volume Properties
Accessible surface: 645.984	Positive charged surface: 374.47	Negative charged surface: 271.514	Volume: 361.875
Hydrophobic surface: 501.249	Hydrophilic surface: 144.735

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.