MMsINC Database Search


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MMsINC code: MMs01683047

Type: Neutral
Formula: C₁₂H₈ClF₂NO₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.1663 kcal/mol

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

Topological Properties
Globularity: 0.254613	Sterimol/B1: 3.47603	Sterimol/B2: 4.03952	Sterimol/B3: 4.59323
Sterimol/B4: 5.64223	Sterimol/L: 11.6864

Surface and Volume Properties
Accessible surface: 454.129	Positive charged surface: 160.876	Negative charged surface: 293.252	Volume: 233.625
Hydrophobic surface: 373.335	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.