MMsINC Database Search


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MMsINC code: MMs01438304

Type: Neutral
Formula: C₁₃H₁₁F₂NO₄S₂

SMILES:

S(=O)(=O)(C)c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2)cc1

InChI:

InChI=1/C13H11F2NO4S2/c1-21(17,18)10-4-2-9(3-5-10)16-22(19,20)11-6-7-12(14)13(15)8-11/h2-8,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.3095 kcal/mol

Physical Properties
Molecular Weight: 347.362 g/mol	logS: -3.77737	SlogP: 2.1691	Reactive groups: 0

Topological Properties
Globularity: 0.141567	Sterimol/B1: 3.70135	Sterimol/B2: 3.99561	Sterimol/B3: 4.60529
Sterimol/B4: 4.97206	Sterimol/L: 14.305

Surface and Volume Properties
Accessible surface: 504.586	Positive charged surface: 212.836	Negative charged surface: 291.75	Volume: 265.625
Hydrophobic surface: 358.246	Hydrophilic surface: 146.34

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.