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MMsINC code: MMs01188220

Type: Neutral
Formula: C₁₉H₂₆N₂O₄

SMILES:

O1N=C(CC1CN(C(=O)C(C)C)CC=C)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C19H26N2O4/c1-6-9-21(19(22)13(2)3)12-15-11-16(20-25-15)14-7-8-17(23-4)18(10-14)24-5/h6-8,10,13,15H,1,9,11-12H2,2-5H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.063 kcal/mol

Physical Properties
Molecular Weight: 346.427 g/mol	logS: -3.02257	SlogP: 2.8674	Reactive groups: 0

Topological Properties
Globularity: 0.078774	Sterimol/B1: 2.1479	Sterimol/B2: 2.37036	Sterimol/B3: 6.68792
Sterimol/B4: 6.78872	Sterimol/L: 18.8593

Surface and Volume Properties
Accessible surface: 644.212	Positive charged surface: 459.873	Negative charged surface: 184.339	Volume: 350.125
Hydrophobic surface: 484.01	Hydrophilic surface: 160.202

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.