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MMsINC code: MMs02719425

Type: Neutral
Formula: C₁₆H₁₇Cl₂NO₃S

SMILES:

Clc1cc(S(=O)(=O)NCCc2ccccc2)c(Cl)cc1OCC

InChI:

InChI=1/C16H17Cl2NO3S/c1-2-22-15-10-14(18)16(11-13(15)17)23(20,21)19-9-8-12-6-4-3-5-7-12/h3-7,10-11,19H,2,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0825 kcal/mol

Physical Properties
Molecular Weight: 374.288 g/mol	logS: -4.8984	SlogP: 3.91307	Reactive groups: 0

Topological Properties
Globularity: 0.0643597	Sterimol/B1: 2.54528	Sterimol/B2: 3.5061	Sterimol/B3: 3.82186
Sterimol/B4: 8.78879	Sterimol/L: 15.3754

Surface and Volume Properties
Accessible surface: 590.237	Positive charged surface: 289.644	Negative charged surface: 300.593	Volume: 318.625
Hydrophobic surface: 484.012	Hydrophilic surface: 106.225

Pharmacophoric Properties
Hydrogen bond donors: 1	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.