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MMsINC code: MMs00894912

Type: Neutral
Formula: C₁₉H₂₀Cl₂N₂O₄S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC1)CC(=O)c1ccccc1OC

InChI:

InChI=1/C19H20Cl2N2O4S/c1-27-18-5-3-2-4-15(18)17(24)13-22-8-10-23(11-9-22)28(25,26)19-12-14(20)6-7-16(19)21/h2-7,12H,8-11,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.647 kcal/mol

Physical Properties
Molecular Weight: 443.351 g/mol	logS: -4.96338	SlogP: 3.1912	Reactive groups: 0

Topological Properties
Globularity: 0.0489144	Sterimol/B1: 2.40958	Sterimol/B2: 3.58589	Sterimol/B3: 4.79149
Sterimol/B4: 7.38971	Sterimol/L: 18.8346

Surface and Volume Properties
Accessible surface: 657.749	Positive charged surface: 368.949	Negative charged surface: 288.8	Volume: 375.25
Hydrophobic surface: 579.777	Hydrophilic surface: 77.972

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

MMs00894913
CHEMDIV-ZINC02939705