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MMsINC code: MMs00282164

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(=O)NCC(C)C)cc1

InChI:

InChI=1/C19H23ClN2O3S/c1-15(2)12-21-19(23)14-22(13-16-6-4-3-5-7-16)26(24,25)18-10-8-17(20)9-11-18/h3-11,15H,12-14H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.9908 kcal/mol

Physical Properties
Molecular Weight: 394.923 g/mol	logS: -4.70395	SlogP: 3.5695	Reactive groups: 0

Topological Properties
Globularity: 0.0737587	Sterimol/B1: 2.89625	Sterimol/B2: 3.13165	Sterimol/B3: 4.51078
Sterimol/B4: 11.2539	Sterimol/L: 16.0679

Surface and Volume Properties
Accessible surface: 646.063	Positive charged surface: 352.581	Negative charged surface: 293.482	Volume: 368.25
Hydrophobic surface: 527.271	Hydrophilic surface: 118.792

Pharmacophoric Properties
Hydrogen bond donors: 1	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.