MMsINC Database Search


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MMsINC code: MMs00493028

Type: Neutral
Formula: C₁₂H₈Cl₂FNO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1F

InChI:

InChI=1/C12H8Cl2FNO2S/c13-8-5-6-9(14)12(7-8)19(17,18)16-11-4-2-1-3-10(11)15/h1-7,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.5267 kcal/mol

Physical Properties
Molecular Weight: 320.171 g/mol	logS: -4.81028	SlogP: 3.9333	Reactive groups: 0

Topological Properties
Globularity: 0.153836	Sterimol/B1: 2.97074	Sterimol/B2: 3.58361	Sterimol/B3: 4.33752
Sterimol/B4: 6.67109	Sterimol/L: 12.1158

Surface and Volume Properties
Accessible surface: 460.678	Positive charged surface: 151.933	Negative charged surface: 308.745	Volume: 243.125
Hydrophobic surface: 387.485	Hydrophilic surface: 73.193

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.