MMsINC Database Search


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MMsINC code: MMs01072907

Type: Neutral
Formula: C₁₂H₈Cl₂FNO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(F)cc2)cc(Cl)c1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.9556 kcal/mol

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

Topological Properties
Globularity: 0.213437	Sterimol/B1: 2.51665	Sterimol/B2: 3.66259	Sterimol/B3: 5.39183
Sterimol/B4: 6.37363	Sterimol/L: 12.4705

Surface and Volume Properties
Accessible surface: 476.588	Positive charged surface: 160.054	Negative charged surface: 316.533	Volume: 245.375
Hydrophobic surface: 394.241	Hydrophilic surface: 82.347

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.