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MMsINC code: MMs02762538

Type: Neutral
Formula: C₁₅H₁₈N₂O₆S₂

SMILES:

S(=O)(=O)(NCc1cc(OC)c(OC)cc1)c1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C15H18N2O6S2/c1-22-14-8-3-11(9-15(14)23-2)10-17-25(20,21)13-6-4-12(5-7-13)24(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.7049 kcal/mol

Physical Properties
Molecular Weight: 386.449 g/mol	logS: -3.31813	SlogP: 1.0961	Reactive groups: 0

Topological Properties
Globularity: 0.0578226	Sterimol/B1: 1.99946	Sterimol/B2: 4.0917	Sterimol/B3: 4.50484
Sterimol/B4: 7.60276	Sterimol/L: 18.2106

Surface and Volume Properties
Accessible surface: 625.192	Positive charged surface: 380.915	Negative charged surface: 244.277	Volume: 320.375
Hydrophobic surface: 392.027	Hydrophilic surface: 233.165

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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

MMs02762539
PUBCHEM-ZINC01060882