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MMsINC code: MMs01063747

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₂S

SMILES:

Clc1cccc(NS(=O)(=O)c2cc3c4CCCCc4[nH]c3cc2)c1C

InChI:

InChI=1/C19H19ClN2O2S/c1-12-16(20)6-4-8-17(12)22-25(23,24)13-9-10-19-15(11-13)14-5-2-3-7-18(14)21-19/h4,6,8-11,21-22H,2-3,5,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4477 kcal/mol

Physical Properties
Molecular Weight: 374.892 g/mol	logS: -5.32019	SlogP: 4.80926	Reactive groups: 0

Topological Properties
Globularity: 0.164769	Sterimol/B1: 3.17715	Sterimol/B2: 5.32219	Sterimol/B3: 5.59072
Sterimol/B4: 6.50036	Sterimol/L: 13.8897

Surface and Volume Properties
Accessible surface: 570.854	Positive charged surface: 320.111	Negative charged surface: 245.878	Volume: 332.625
Hydrophobic surface: 468.461	Hydrophilic surface: 102.393

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.