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MMsINC code: MMs00899433

Type: Neutral
Formula: C₁₉H₂₄N₂O₅S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)CC(=O)NCCCO)c1ccc(OC)cc1

InChI:

InChI=1/C19H24N2O5S/c1-26-17-8-10-18(11-9-17)27(24,25)21(14-16-6-3-2-4-7-16)15-19(23)20-12-5-13-22/h2-4,6-11,22H,5,12-15H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9447 kcal/mol

Physical Properties
Molecular Weight: 392.476 g/mol	logS: -3.28852	SlogP: 1.6511	Reactive groups: 0

Topological Properties
Globularity: 0.0869814	Sterimol/B1: 2.1811	Sterimol/B2: 2.40945	Sterimol/B3: 5.61278
Sterimol/B4: 12.0836	Sterimol/L: 16.4233

Surface and Volume Properties
Accessible surface: 660.197	Positive charged surface: 445.314	Negative charged surface: 214.883	Volume: 363.5
Hydrophobic surface: 512.239	Hydrophilic surface: 147.958

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.