MMsINC Database Search


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MMsINC code: MMs02202443

Type: Neutral
Formula: C₁₂H₈Cl₂FNO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.4423 kcal/mol

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

Topological Properties
Globularity: 0.329963	Sterimol/B1: 2.51617	Sterimol/B2: 4.9189	Sterimol/B3: 4.98492
Sterimol/B4: 5.99935	Sterimol/L: 10.7841

Surface and Volume Properties
Accessible surface: 464.344	Positive charged surface: 160.3	Negative charged surface: 304.044	Volume: 245.375
Hydrophobic surface: 390.786	Hydrophilic surface: 73.558

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.