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MMsINC code: MMs00228611

Type: Neutral
Formula: C₁₉H₂₀N₂O₄S₂

SMILES:

s1cccc1C1N(CCN2CCOCC2)C(=O)C(=O)C1C(=O)c1sccc1

InChI:

InChI=1/C19H20N2O4S2/c22-17(14-4-2-12-27-14)15-16(13-3-1-11-26-13)21(19(24)18(15)23)6-5-20-7-9-25-10-8-20/h1-4,11-12,15-16H,5-10H2/t15-,16+/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5926 kcal/mol

Physical Properties
Molecular Weight: 404.511 g/mol	logS: -3.56365	SlogP: 2.1888	Reactive groups: 0

Topological Properties
Globularity: 0.0968374	Sterimol/B1: 2.654	Sterimol/B2: 2.90965	Sterimol/B3: 5.68735
Sterimol/B4: 8.32546	Sterimol/L: 17.1707

Surface and Volume Properties
Accessible surface: 635.049	Positive charged surface: 354.914	Negative charged surface: 280.135	Volume: 356.25
Hydrophobic surface: 520.681	Hydrophilic surface: 114.368

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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