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MMsINC code: MMs00499949

Type: Neutral
Formula: C₁₆H₂₂N₂O₆

SMILES:

O1CCN(CC1)CC(=O)Nc1cc(OC)c(OC)cc1C(OC)=O

InChI:

InChI=1/C16H22N2O6/c1-21-13-8-11(16(20)23-3)12(9-14(13)22-2)17-15(19)10-18-4-6-24-7-5-18/h8-9H,4-7,10H2,1-3H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.009 kcal/mol

Physical Properties
Molecular Weight: 338.36 g/mol	logS: -2.25883	SlogP: 0.7611	Reactive groups: 0

Topological Properties
Globularity: 0.0647594	Sterimol/B1: 3.67779	Sterimol/B2: 4.03232	Sterimol/B3: 5.32735
Sterimol/B4: 7.57186	Sterimol/L: 16.6062

Surface and Volume Properties
Accessible surface: 602.424	Positive charged surface: 524.074	Negative charged surface: 78.3503	Volume: 314.25
Hydrophobic surface: 514.787	Hydrophilic surface: 87.637

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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

MMs00499950
CHEMBLOCK-ZINC00116922