MMsINC Database Search


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MMsINC code: MMs02992608

Type: Neutral
Formula: C₁₂H₈ClF₂NO₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1

InChI:

InChI=1/C12H8ClF2NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-6-3-9(14)7-11(12)15/h1-7,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.1682 kcal/mol

Physical Properties
Molecular Weight: 303.716 g/mol	logS: -4.37097	SlogP: 3.419	Reactive groups: 0

Topological Properties
Globularity: 0.248536	Sterimol/B1: 3.41249	Sterimol/B2: 4.08951	Sterimol/B3: 4.58934
Sterimol/B4: 5.67151	Sterimol/L: 11.8577

Surface and Volume Properties
Accessible surface: 455.384	Positive charged surface: 164.999	Negative charged surface: 290.384	Volume: 231.875
Hydrophobic surface: 374.59	Hydrophilic surface: 80.794

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.