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MMsINC code: MMs00160307

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(Cc2cc(ccc2)C)CC(=O)N2CCCC2)cc1

InChI:

InChI=1/C20H23ClN2O3S/c1-16-5-4-6-17(13-16)14-23(15-20(24)22-11-2-3-12-22)27(25,26)19-9-7-18(21)8-10-19/h4-10,13H,2-3,11-12,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5406 kcal/mol

Physical Properties
Molecular Weight: 406.934 g/mol	logS: -4.89351	SlogP: 3.72812	Reactive groups: 0

Topological Properties
Globularity: 0.109475	Sterimol/B1: 2.40114	Sterimol/B2: 2.75435	Sterimol/B3: 4.902
Sterimol/B4: 11.5255	Sterimol/L: 15.9807

Surface and Volume Properties
Accessible surface: 644.016	Positive charged surface: 374.374	Negative charged surface: 269.642	Volume: 371.125
Hydrophobic surface: 585.143	Hydrophilic surface: 58.873

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.