MMsINC Database Search


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MMsINC code: MMs00282139

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)NCCCOC)c1ccc(cc1)C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.191 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -4.1132	SlogP: 2.34302	Reactive groups: 0

Topological Properties
Globularity: 0.0583301	Sterimol/B1: 2.1932	Sterimol/B2: 3.27578	Sterimol/B3: 4.69872
Sterimol/B4: 11.4623	Sterimol/L: 18.746

Surface and Volume Properties
Accessible surface: 672.461	Positive charged surface: 448.254	Negative charged surface: 224.207	Volume: 359.75
Hydrophobic surface: 577.203	Hydrophilic surface: 95.258

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

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Ions/Tautomers related molecules: no related molecules available.