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MMsINC code: MMs01974834

Type: Neutral
Formula: C₁₆H₂₄N₂O₄S

SMILES:

S(=O)(=O)(NC(C(C)C)C(=O)N1CCOCC1)c1ccc(cc1)C

InChI:

InChI=1/C16H24N2O4S/c1-12(2)15(16(19)18-8-10-22-11-9-18)17-23(20,21)14-6-4-13(3)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9851 kcal/mol

Physical Properties
Molecular Weight: 340.444 g/mol	logS: -2.78559	SlogP: 1.15672	Reactive groups: 0

Topological Properties
Globularity: 0.211513	Sterimol/B1: 3.80954	Sterimol/B2: 4.0589	Sterimol/B3: 5.5417
Sterimol/B4: 6.18117	Sterimol/L: 13.8383

Surface and Volume Properties
Accessible surface: 537.206	Positive charged surface: 354.656	Negative charged surface: 182.551	Volume: 316.75
Hydrophobic surface: 411.391	Hydrophilic surface: 125.815

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

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Ions/Tautomers related molecules: no related molecules available.