MMsINC Database Search


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

MMsINC code: MMs00283165

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(Cc1ccc(cc1)C)CC(=O)NCCOC)c1ccccc1

InChI:

InChI=1/C19H24N2O4S/c1-16-8-10-17(11-9-16)14-21(15-19(22)20-12-13-25-2)26(23,24)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2825 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.85547	SlogP: 2.21492	Reactive groups: 0

Topological Properties
Globularity: 0.131595	Sterimol/B1: 2.30776	Sterimol/B2: 3.62617	Sterimol/B3: 5.35744
Sterimol/B4: 8.47364	Sterimol/L: 16.2096

Surface and Volume Properties
Accessible surface: 635.999	Positive charged surface: 417.374	Negative charged surface: 218.625	Volume: 356.75
Hydrophobic surface: 530.329	Hydrophilic surface: 105.67

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.