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MMsINC code: MMs00522352

Type: Neutral
Formula: C₁₆H₁₇ClN₂O₄S

SMILES:

Clc1ccccc1CNS(=O)(=O)c1cc(C(=O)N)c(OCC)cc1

InChI:

InChI=1/C16H17ClN2O4S/c1-2-23-15-8-7-12(9-13(15)16(18)20)24(21,22)19-10-11-5-3-4-6-14(11)17/h3-9,19H,2,10H2,1H3,(H2,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.7812 kcal/mol

Physical Properties
Molecular Weight: 368.841 g/mol	logS: -4.35476	SlogP: 2.5825	Reactive groups: 0

Topological Properties
Globularity: 0.123485	Sterimol/B1: 2.7232	Sterimol/B2: 2.97651	Sterimol/B3: 6.10938
Sterimol/B4: 6.48226	Sterimol/L: 16.8874

Surface and Volume Properties
Accessible surface: 591.041	Positive charged surface: 319.215	Negative charged surface: 271.826	Volume: 316.625
Hydrophobic surface: 394.45	Hydrophilic surface: 196.591

Pharmacophoric Properties
Hydrogen bond donors: 2	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.