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MMsINC code: MMs03689649

Type: Neutral
Formula: C₁₂H₁₀ClFN₂O₄S₂

SMILES:

Clc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N)cc2)ccc1F

InChI:

InChI=1/C12H10ClFN2O4S2/c13-11-7-10(5-6-12(11)14)22(19,20)16-8-1-3-9(4-2-8)21(15,17)18/h1-7,16H,(H2,15,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.583 kcal/mol

Physical Properties
Molecular Weight: 364.805 g/mol	logS: -4.3026	SlogP: 1.9273	Reactive groups: 0

Topological Properties
Globularity: 0.152624	Sterimol/B1: 2.73332	Sterimol/B2: 3.86622	Sterimol/B3: 5.26857
Sterimol/B4: 5.726	Sterimol/L: 14.8348

Surface and Volume Properties
Accessible surface: 519.254	Positive charged surface: 205.056	Negative charged surface: 314.197	Volume: 267.75
Hydrophobic surface: 305.896	Hydrophilic surface: 213.358

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs03689650
PUBCHEM-ZINC06368796