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MMsINC code: MMs01667375

Type: Neutral
Formula: C₂₀H₂₅ClN₂O₃S

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(N2CCOCC2)cc1

InChI:

InChI=1/C20H25ClN2O3S/c1-20(2,3)15-4-7-17(8-5-15)27(24,25)22-18-14-16(21)6-9-19(18)23-10-12-26-13-11-23/h4-9,14,22H,10-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.293 kcal/mol

Physical Properties
Molecular Weight: 408.95 g/mol	logS: -6.01948	SlogP: 4.2749	Reactive groups: 0

Topological Properties
Globularity: 0.190501	Sterimol/B1: 4.27069	Sterimol/B2: 5.10635	Sterimol/B3: 5.16763
Sterimol/B4: 7.82769	Sterimol/L: 15.3063

Surface and Volume Properties
Accessible surface: 625.488	Positive charged surface: 371.689	Negative charged surface: 253.799	Volume: 372.75
Hydrophobic surface: 479.293	Hydrophilic surface: 146.195

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.