MMsINC Database Search


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MMsINC code: MMs01224106

Type: Neutral
Formula: C₁₃H₁₁ClFNO₂S

SMILES:

Clc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.5769 kcal/mol

Physical Properties
Molecular Weight: 299.753 g/mol	logS: -4.23646	SlogP: 3.58832	Reactive groups: 0

Topological Properties
Globularity: 0.315211	Sterimol/B1: 2.1898	Sterimol/B2: 3.50862	Sterimol/B3: 5.66289
Sterimol/B4: 6.47514	Sterimol/L: 11.6183

Surface and Volume Properties
Accessible surface: 458.555	Positive charged surface: 190.225	Negative charged surface: 268.329	Volume: 244.25
Hydrophobic surface: 385.145	Hydrophilic surface: 73.41

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.