MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01396264

Type: Neutral
Formula: C₁₆H₂₄N₂O₄S

SMILES:

S(=O)(=O)(NC(C(=O)N1CCCCCC1)C)c1ccc(OC)cc1

InChI:

InChI=1/C16H24N2O4S/c1-13(16(19)18-11-5-3-4-6-12-18)17-23(20,21)15-9-7-14(22-2)8-10-15/h7-10,13,17H,3-6,11-12H2,1-2H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3789 kcal/mol

Physical Properties
Molecular Weight: 340.444 g/mol	logS: -2.62295	SlogP: 1.7646	Reactive groups: 0

Topological Properties
Globularity: 0.0800298	Sterimol/B1: 2.36534	Sterimol/B2: 4.79439	Sterimol/B3: 5.1742
Sterimol/B4: 5.57656	Sterimol/L: 15.6136

Surface and Volume Properties
Accessible surface: 559.661	Positive charged surface: 374.712	Negative charged surface: 184.949	Volume: 314.125
Hydrophobic surface: 432.237	Hydrophilic surface: 127.424

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.