MMsINC Database Search


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MMsINC code: MMs03446440

Type: Neutral
Formula: C₁₆H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1

InChI:

InChI=1/C16H18N2O4S2/c19-23(20,15-6-2-1-3-7-15)17-14-8-10-16(11-9-14)24(21,22)18-12-4-5-13-18/h1-3,6-11,17H,4-5,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.1228 kcal/mol

Physical Properties
Molecular Weight: 366.462 g/mol	logS: -3.51266	SlogP: 2.2719	Reactive groups: 0

Topological Properties
Globularity: 0.100842	Sterimol/B1: 2.48716	Sterimol/B2: 3.80973	Sterimol/B3: 4.25264
Sterimol/B4: 6.74461	Sterimol/L: 15.7084

Surface and Volume Properties
Accessible surface: 573.919	Positive charged surface: 330.15	Negative charged surface: 243.769	Volume: 314.375
Hydrophobic surface: 431.351	Hydrophilic surface: 142.568

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.