MMsINC Database Search


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MMsINC code: MMs01626537

Type: Neutral
Formula: C₁₃H₁₂FNO₄S₂

SMILES:

S(=O)(=O)(C)c1ccc(NS(=O)(=O)c2cc(F)ccc2)cc1

InChI:

InChI=1/C13H12FNO4S2/c1-20(16,17)12-7-5-11(6-8-12)15-21(18,19)13-4-2-3-10(14)9-13/h2-9,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.8519 kcal/mol

Physical Properties
Molecular Weight: 329.372 g/mol	logS: -3.48239	SlogP: 2.03	Reactive groups: 0

Topological Properties
Globularity: 0.141796	Sterimol/B1: 3.69439	Sterimol/B2: 4.00745	Sterimol/B3: 4.3939
Sterimol/B4: 4.9249	Sterimol/L: 14.2991

Surface and Volume Properties
Accessible surface: 499.466	Positive charged surface: 223.275	Negative charged surface: 276.19	Volume: 263.625
Hydrophobic surface: 353.125	Hydrophilic surface: 146.341

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.