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MMsINC code: MMs01071402

Type: Neutral
Formula: C₁₄H₁₆N₂O₅S₂

SMILES:

s1cc(S(=O)(=O)NCc2cc(OC)c(OC)cc2)cc1C(=O)N

InChI:

InChI=1/C14H16N2O5S2/c1-20-11-4-3-9(5-12(11)21-2)7-16-23(18,19)10-6-13(14(15)17)22-8-10/h3-6,8,16H,7H2,1-2H3,(H2,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.0286 kcal/mol

Physical Properties
Molecular Weight: 356.423 g/mol	logS: -3.15031	SlogP: 1.6091	Reactive groups: 0

Topological Properties
Globularity: 0.0485302	Sterimol/B1: 1.969	Sterimol/B2: 3.93267	Sterimol/B3: 4.07959
Sterimol/B4: 7.83387	Sterimol/L: 16.7461

Surface and Volume Properties
Accessible surface: 587.568	Positive charged surface: 353.5	Negative charged surface: 234.068	Volume: 296.5
Hydrophobic surface: 374.451	Hydrophilic surface: 213.117

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.