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MMsINC code: MMs01630158

Type: Neutral
Formula: C₁₆H₁₇ClN₂O₃S

SMILES:

Clc1cc(ccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C

InChI:

InChI=1/C16H17ClN2O3S/c1-11-4-9-15(14(17)10-11)18-16(20)12-5-7-13(8-6-12)23(21,22)19(2)3/h4-10H,1-3H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0044 kcal/mol

Physical Properties
Molecular Weight: 352.842 g/mol	logS: -4.47664	SlogP: 3.15102	Reactive groups: 0

Topological Properties
Globularity: 0.0314215	Sterimol/B1: 3.08585	Sterimol/B2: 4.00924	Sterimol/B3: 4.23123
Sterimol/B4: 5.07701	Sterimol/L: 17.8232

Surface and Volume Properties
Accessible surface: 582.235	Positive charged surface: 323.495	Negative charged surface: 258.74	Volume: 311.5
Hydrophobic surface: 494.651	Hydrophilic surface: 87.584

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.