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MMsINC code: MMs01938333

Type: Neutral
Formula: C₁₆H₂₀N₂O₅S

SMILES:

S1(=O)(=O)N(CCC)C(C(=O)N2CCOCC2)=C(O)c2c1cccc2

InChI:

InChI=1/C16H20N2O5S/c1-2-7-18-14(16(20)17-8-10-23-11-9-17)15(19)12-5-3-4-6-13(12)24(18,21)22/h3-6,19H,2,7-11H2,1H3


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1547 kcal/mol

Physical Properties
Molecular Weight: 352.411 g/mol	logS: -2.55333	SlogP: 1.1863	Reactive groups: 0

Topological Properties
Globularity: 0.174528	Sterimol/B1: 2.00099	Sterimol/B2: 2.99674	Sterimol/B3: 4.97818
Sterimol/B4: 9.46177	Sterimol/L: 14.2846

Surface and Volume Properties
Accessible surface: 543.265	Positive charged surface: 358.516	Negative charged surface: 184.749	Volume: 309
Hydrophobic surface: 413.791	Hydrophilic surface: 129.474

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs01938335
IBS-ZINC05321670