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MMsINC code: MMs00211790

Type: Neutral
Formula: C₁₆H₂₀N₂O₄S₂

SMILES:

S(=O)(=O)(NCc1ccc(S(=O)(=O)N)cc1)c1c(cc(cc1C)C)C

InChI:

InChI=1/C16H20N2O4S2/c1-11-8-12(2)16(13(3)9-11)24(21,22)18-10-14-4-6-15(7-5-14)23(17,19)20/h4-9,18H,10H2,1-3H3,(H2,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.5915 kcal/mol

Physical Properties
Molecular Weight: 368.478 g/mol	logS: -4.01223	SlogP: 2.00416	Reactive groups: 0

Topological Properties
Globularity: 0.125545	Sterimol/B1: 2.40374	Sterimol/B2: 4.25758	Sterimol/B3: 4.98158
Sterimol/B4: 7.11397	Sterimol/L: 17.0633

Surface and Volume Properties
Accessible surface: 590.423	Positive charged surface: 311.299	Negative charged surface: 279.124	Volume: 318.375
Hydrophobic surface: 392.394	Hydrophilic surface: 198.029

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00211791
ASINEX-ZINC00898108