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MMsINC code: MMs00569041

Type: Neutral
Formula: C₁₃H₁₆Cl₂N₂O₅S

SMILES:

Clc1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)NCC(OCC)=O

InChI:

InChI=1/C13H16Cl2N2O5S/c1-4-22-12(18)7-16-13(19)8-5-11(10(15)6-9(8)14)23(20,21)17(2)3/h5-6H,4,7H2,1-3H3,(H,16,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.2006 kcal/mol

Physical Properties
Molecular Weight: 383.252 g/mol	logS: -3.64853	SlogP: 1.5366	Reactive groups: 1

Topological Properties
Globularity: 0.0370515	Sterimol/B1: 3.52084	Sterimol/B2: 3.80685	Sterimol/B3: 4.05716
Sterimol/B4: 7.70482	Sterimol/L: 16.6945

Surface and Volume Properties
Accessible surface: 592.822	Positive charged surface: 348.506	Negative charged surface: 244.316	Volume: 310.125
Hydrophobic surface: 431.587	Hydrophilic surface: 161.235

Pharmacophoric Properties
Hydrogen bond donors: 1	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.