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MMsINC code: MMs00440984

Type: Neutral
Formula: C₁₆H₂₃ClN₂O₆S

SMILES:

Clc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCCCOC

InChI:

InChI=1/C16H23ClN2O6S/c1-23-8-2-5-18-16(20)12-25-15-4-3-13(11-14(15)17)26(21,22)19-6-9-24-10-7-19/h3-4,11H,2,5-10,12H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6561 kcal/mol

Physical Properties
Molecular Weight: 406.887 g/mol	logS: -2.89157	SlogP: 0.8924	Reactive groups: 0

Topological Properties
Globularity: 0.0260753	Sterimol/B1: 3.25812	Sterimol/B2: 3.75827	Sterimol/B3: 4.58295
Sterimol/B4: 6.68492	Sterimol/L: 22.0231

Surface and Volume Properties
Accessible surface: 679.585	Positive charged surface: 473.133	Negative charged surface: 206.452	Volume: 351.125
Hydrophobic surface: 548.714	Hydrophilic surface: 130.871

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.