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MMsINC code: MMs00228341

Type: Neutral
Formula: C₁₆H₂₃ClN₂O₄S

SMILES:

Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)NC(CO)(C)C

InChI:

InChI=1/C16H23ClN2O4S/c1-16(2,11-20)18-15(21)12-6-7-13(17)14(10-12)24(22,23)19-8-4-3-5-9-19/h6-7,10,20H,3-5,8-9,11H2,1-2H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6297 kcal/mol

Physical Properties
Molecular Weight: 374.889 g/mol	logS: -3.38489	SlogP: 2.0153	Reactive groups: 0

Topological Properties
Globularity: 0.0547308	Sterimol/B1: 2.75115	Sterimol/B2: 3.75178	Sterimol/B3: 4.82325
Sterimol/B4: 5.62841	Sterimol/L: 17.8117

Surface and Volume Properties
Accessible surface: 585.912	Positive charged surface: 368.51	Negative charged surface: 217.402	Volume: 331
Hydrophobic surface: 433.511	Hydrophilic surface: 152.401

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.