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MMsINC code: MMs02683036

Type: Neutral
Formula: C₁₃H₁₁ClN₂O₃S₂

SMILES:

Clc1sc(cc1)C(=O)\C=C\Nc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C13H11ClN2O3S2/c14-13-6-5-12(20-13)11(17)7-8-16-9-1-3-10(4-2-9)21(15,18)19/h1-8,16H,(H2,15,18,19)/b8-7+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.7096 kcal/mol

Physical Properties
Molecular Weight: 342.827 g/mol	logS: -4.63199	SlogP: 2.8574	Reactive groups: 1

Topological Properties
Globularity: 0.0138471	Sterimol/B1: 2.52239	Sterimol/B2: 2.70059	Sterimol/B3: 3.33615
Sterimol/B4: 5.39809	Sterimol/L: 18.8709

Surface and Volume Properties
Accessible surface: 547.806	Positive charged surface: 203.548	Negative charged surface: 344.258	Volume: 275.625
Hydrophobic surface: 361.457	Hydrophilic surface: 186.349

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

MMs02683037
PUBCHEM-ZINC00434092