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MMsINC code: MMs00546512

Type: Neutral
Formula: C₁₇H₂₀N₂O₄S

SMILES:

S(=O)(=O)(NCc1ccc(cc1)C(=O)NCCOc1ccccc1)C

InChI:

InChI=1/C17H20N2O4S/c1-24(21,22)19-13-14-7-9-15(10-8-14)17(20)18-11-12-23-16-5-3-2-4-6-16/h2-10,19H,11-13H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.1047 kcal/mol

Physical Properties
Molecular Weight: 348.423 g/mol	logS: -3.15775	SlogP: 1.811	Reactive groups: 0

Topological Properties
Globularity: 0.0312076	Sterimol/B1: 3.13973	Sterimol/B2: 3.4792	Sterimol/B3: 3.93476
Sterimol/B4: 6.40302	Sterimol/L: 19.2074

Surface and Volume Properties
Accessible surface: 631.235	Positive charged surface: 362.317	Negative charged surface: 268.918	Volume: 323
Hydrophobic surface: 489.575	Hydrophilic surface: 141.66

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: no related molecules available.