MMsINC Database Search


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MMsINC code: MMs01370474

Type: Neutral
Formula: C₁₆H₁₆F₂N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCC1)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1

InChI:

InChI=1/C16H16F2N2O4S2/c17-12-3-8-16(15(18)11-12)25(21,22)19-13-4-6-14(7-5-13)26(23,24)20-9-1-2-10-20/h3-8,11,19H,1-2,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.716 kcal/mol

Physical Properties
Molecular Weight: 402.442 g/mol	logS: -4.10262	SlogP: 2.5501	Reactive groups: 0

Topological Properties
Globularity: 0.113697	Sterimol/B1: 2.44229	Sterimol/B2: 4.03434	Sterimol/B3: 5.27748
Sterimol/B4: 5.35628	Sterimol/L: 15.5396

Surface and Volume Properties
Accessible surface: 582.7	Positive charged surface: 306.587	Negative charged surface: 276.113	Volume: 318.875
Hydrophobic surface: 444.897	Hydrophilic surface: 137.803

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.