MMsINC Database Search


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MMsINC code: MMs01590181

Type: Neutral
Formula: C₁₃H₁₁ClFNO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(cc2)C)c(F)cc1

InChI:

InChI=1/C13H11ClFNO2S/c1-9-2-5-11(6-3-9)19(17,18)16-13-8-10(14)4-7-12(13)15/h2-8,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.3142 kcal/mol

Physical Properties
Molecular Weight: 299.753 g/mol	logS: -4.54991	SlogP: 3.58832	Reactive groups: 0

Topological Properties
Globularity: 0.208317	Sterimol/B1: 2.83354	Sterimol/B2: 3.67973	Sterimol/B3: 4.72832
Sterimol/B4: 6.85401	Sterimol/L: 11.8952

Surface and Volume Properties
Accessible surface: 474.185	Positive charged surface: 196.621	Negative charged surface: 277.564	Volume: 247.375
Hydrophobic surface: 393.546	Hydrophilic surface: 80.639

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.