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MMsINC code: MMs01339810

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₆S

SMILES:

Clc1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1C(OCC(=O)NC)=O

InChI:

InChI=1/C18H19ClN2O6S/c1-20-17(22)11-27-18(23)13-10-12(8-9-14(13)19)28(24,25)21(2)15-6-4-5-7-16(15)26-3/h4-10H,11H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.186 kcal/mol

Physical Properties
Molecular Weight: 426.877 g/mol	logS: -4.46127	SlogP: 2.0765	Reactive groups: 0

Topological Properties
Globularity: 0.132007	Sterimol/B1: 3.51352	Sterimol/B2: 4.83218	Sterimol/B3: 5.47673
Sterimol/B4: 8.72727	Sterimol/L: 15.5132

Surface and Volume Properties
Accessible surface: 617.844	Positive charged surface: 385.53	Negative charged surface: 232.314	Volume: 363.5
Hydrophobic surface: 492.036	Hydrophilic surface: 125.808

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.