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MMsINC code: MMs00318920

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₄S

SMILES:

Clc1ccc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2cc(OCC)ccc2)cc1

InChI:

InChI=1/C20H23ClN2O4S/c1-2-27-18-5-3-4-17(14-18)22-20(24)15-10-12-23(13-11-15)28(25,26)19-8-6-16(21)7-9-19/h3-9,14-15H,2,10-13H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3274 kcal/mol

Physical Properties
Molecular Weight: 422.933 g/mol	logS: -4.71561	SlogP: 3.7781	Reactive groups: 0

Topological Properties
Globularity: 0.0340307	Sterimol/B1: 2.62483	Sterimol/B2: 2.84484	Sterimol/B3: 4.82508
Sterimol/B4: 5.9558	Sterimol/L: 22.9167

Surface and Volume Properties
Accessible surface: 695.587	Positive charged surface: 395.782	Negative charged surface: 299.804	Volume: 375.625
Hydrophobic surface: 577.069	Hydrophilic surface: 118.518

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.