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MMsINC code: MMs01496450

Type: Neutral
Formula: C₂₀H₂₂ClNO₅S

SMILES:

Clc1ccc(S(=O)(=O)N2CCCCC2)cc1C(OCCOc1ccccc1)=O

InChI:

InChI=1/C20H22ClNO5S/c21-19-10-9-17(28(24,25)22-11-5-2-6-12-22)15-18(19)20(23)27-14-13-26-16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2103 kcal/mol

Physical Properties
Molecular Weight: 423.917 g/mol	logS: -5.01333	SlogP: 3.7504	Reactive groups: 0

Topological Properties
Globularity: 0.0914266	Sterimol/B1: 2.57823	Sterimol/B2: 3.58961	Sterimol/B3: 4.40722
Sterimol/B4: 10.4727	Sterimol/L: 16.2895

Surface and Volume Properties
Accessible surface: 691.297	Positive charged surface: 408.124	Negative charged surface: 283.173	Volume: 375.625
Hydrophobic surface: 603.981	Hydrophilic surface: 87.316

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.