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MMsINC code: MMs01370558

Type: Neutral
Formula: C₁₉H₂₂N₂O₅

SMILES:

O(C)c1cc(C)c(NCC(=O)Nc2ccccc2C(OC)=O)cc1OC

InChI:

InChI=1/C19H22N2O5/c1-12-9-16(24-2)17(25-3)10-15(12)20-11-18(22)21-14-8-6-5-7-13(14)19(23)26-4/h5-10,20H,11H2,1-4H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.297 kcal/mol

Physical Properties
Molecular Weight: 358.394 g/mol	logS: -3.82073	SlogP: 2.84942	Reactive groups: 0

Topological Properties
Globularity: 0.0230836	Sterimol/B1: 2.56998	Sterimol/B2: 2.7236	Sterimol/B3: 3.88162
Sterimol/B4: 8.72582	Sterimol/L: 18.2948

Surface and Volume Properties
Accessible surface: 647.886	Positive charged surface: 484.823	Negative charged surface: 163.063	Volume: 340.375
Hydrophobic surface: 558.096	Hydrophilic surface: 89.79

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.