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MMsINC code: MMs02166839

Type: Neutral
Formula: C₁₉H₂₂N₂O₄

SMILES:

O(CCCNC(=O)c1ccc(OC)cc1)c1cc(NC(=O)C)ccc1

InChI:

InChI=1/C19H22N2O4/c1-14(22)21-16-5-3-6-18(13-16)25-12-4-11-20-19(23)15-7-9-17(24-2)10-8-15/h3,5-10,13H,4,11-12H2,1-2H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9113 kcal/mol

Physical Properties
Molecular Weight: 342.395 g/mol	logS: -3.83733	SlogP: 2.8525	Reactive groups: 0

Topological Properties
Globularity: 0.00638213	Sterimol/B1: 2.30107	Sterimol/B2: 2.3378	Sterimol/B3: 2.81942
Sterimol/B4: 6.59604	Sterimol/L: 22.9063

Surface and Volume Properties
Accessible surface: 652.586	Positive charged surface: 434.259	Negative charged surface: 218.327	Volume: 335.5
Hydrophobic surface: 540.888	Hydrophilic surface: 111.698

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.