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MMsINC code: MMs00528153

Type: Neutral
Formula: C₁₂H₁₀ClFN₂O₄S₂

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)N)cc2)ccc1F

InChI:

InChI=1/C12H10ClFN2O4S2/c13-11-7-8(1-6-12(11)14)16-22(19,20)10-4-2-9(3-5-10)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)=12.8528 kcal/mol

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

Topological Properties
Globularity: 0.131713	Sterimol/B1: 3.02433	Sterimol/B2: 4.21653	Sterimol/B3: 4.52807
Sterimol/B4: 6.03877	Sterimol/L: 14.7123

Surface and Volume Properties
Accessible surface: 520.617	Positive charged surface: 207.835	Negative charged surface: 312.782	Volume: 271.5
Hydrophobic surface: 305.479	Hydrophilic surface: 215.138

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

MMs00528154
CHEMBLOCK-ZINC01445971