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MMsINC code: MMs01698194

Type: Neutral
Formula: C₁₆H₁₇ClN₂O₃S

SMILES:

Clc1ccc(cc1S(=O)(=O)NC)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C16H17ClN2O3S/c1-11-3-5-12(6-4-11)10-19-16(20)13-7-8-14(17)15(9-13)23(21,22)18-2/h3-9,18H,10H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.7209 kcal/mol

Physical Properties
Molecular Weight: 352.842 g/mol	logS: -4.3451	SlogP: 2.75292	Reactive groups: 0

Topological Properties
Globularity: 0.0637489	Sterimol/B1: 3.41932	Sterimol/B2: 3.91621	Sterimol/B3: 4.29928
Sterimol/B4: 5.01083	Sterimol/L: 17.6478

Surface and Volume Properties
Accessible surface: 590.295	Positive charged surface: 322.779	Negative charged surface: 267.515	Volume: 310.5
Hydrophobic surface: 462.3	Hydrophilic surface: 127.995

Pharmacophoric Properties
Hydrogen bond donors: 2	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.