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MMsINC code: MMs02797790

Type: Neutral
Formula: C₁₉H₂₀N₂O₅

SMILES:

o1c2cc(n(c2cc1C)CC(=O)Nc1ccccc1OC)C(OCC)=O

InChI:

InChI=1/C19H20N2O5/c1-4-25-19(23)15-10-17-14(9-12(2)26-17)21(15)11-18(22)20-13-7-5-6-8-16(13)24-3/h5-10H,4,11H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2214 kcal/mol

Physical Properties
Molecular Weight: 356.378 g/mol	logS: -4.3583	SlogP: 3.63312	Reactive groups: 0

Topological Properties
Globularity: 0.146145	Sterimol/B1: 2.4705	Sterimol/B2: 3.37768	Sterimol/B3: 5.99401
Sterimol/B4: 9.88359	Sterimol/L: 15.1628

Surface and Volume Properties
Accessible surface: 621.574	Positive charged surface: 413.978	Negative charged surface: 207.596	Volume: 335.375
Hydrophobic surface: 514.898	Hydrophilic surface: 106.676

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.