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MMsINC code: MMs02058726

Type: Neutral
Formula: C₁₄H₁₄ClNO₃S₂

SMILES:

Clc1ccc(S(=O)(=O)C(CNC(=O)C)c2sccc2)cc1

InChI:

InChI=1/C14H14ClNO3S2/c1-10(17)16-9-14(13-3-2-8-20-13)21(18,19)12-6-4-11(15)5-7-12/h2-8,14H,9H2,1H3,(H,16,17)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.1925 kcal/mol

Physical Properties
Molecular Weight: 343.855 g/mol	logS: -4.01436	SlogP: 3.1481	Reactive groups: 0

Topological Properties
Globularity: 0.1003	Sterimol/B1: 3.66036	Sterimol/B2: 3.83285	Sterimol/B3: 4.02161
Sterimol/B4: 6.78803	Sterimol/L: 15.5816

Surface and Volume Properties
Accessible surface: 531.114	Positive charged surface: 240.531	Negative charged surface: 290.583	Volume: 288.125
Hydrophobic surface: 440.135	Hydrophilic surface: 90.979

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.