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MMsINC code: MMs00164331

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₄S

SMILES:

Clc1ccc(S(=O)(=O)N(Cc2ccc(cc2)C)CC(=O)N2CCOCC2)cc1

InChI:

InChI=1/C20H23ClN2O4S/c1-16-2-4-17(5-3-16)14-23(15-20(24)22-10-12-27-13-11-22)28(25,26)19-8-6-18(21)7-9-19/h2-9H,10-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9676 kcal/mol

Physical Properties
Molecular Weight: 422.933 g/mol	logS: -4.63261	SlogP: 2.96452	Reactive groups: 0

Topological Properties
Globularity: 0.0954346	Sterimol/B1: 2.36428	Sterimol/B2: 3.46051	Sterimol/B3: 4.09226
Sterimol/B4: 9.97931	Sterimol/L: 17.0261

Surface and Volume Properties
Accessible surface: 647.366	Positive charged surface: 389.415	Negative charged surface: 257.951	Volume: 380.375
Hydrophobic surface: 577.786	Hydrophilic surface: 69.58

Pharmacophoric Properties
Hydrogen bond donors: 0	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.