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MMsINC code: MMs01696391

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₄S

SMILES:

Clc1ccccc1CNC(=O)c1ccc(S(=O)(=O)NCc2occc2)cc1

InChI:

InChI=1/C19H17ClN2O4S/c20-18-6-2-1-4-15(18)12-21-19(23)14-7-9-17(10-8-14)27(24,25)22-13-16-5-3-11-26-16/h1-11,22H,12-13H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.9086 kcal/mol

Physical Properties
Molecular Weight: 404.874 g/mol	logS: -5.39065	SlogP: 3.8743	Reactive groups: 0

Topological Properties
Globularity: 0.0663794	Sterimol/B1: 3.35877	Sterimol/B2: 4.23123	Sterimol/B3: 5.19271
Sterimol/B4: 6.00008	Sterimol/L: 18.601

Surface and Volume Properties
Accessible surface: 662.405	Positive charged surface: 299.001	Negative charged surface: 363.404	Volume: 350.625
Hydrophobic surface: 518.638	Hydrophilic surface: 143.767

Pharmacophoric Properties
Hydrogen bond donors: 2	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.