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MMsINC code: MMs01546748

Type: Neutral
Formula: C₂₀H₂₆N₂O₄

SMILES:

O(C(=O)c1[nH]c(C)c(C(=O)C)c1C)CC(=O)c1cc(n(CCC)c1C)C

InChI:

InChI=1/C20H26N2O4/c1-7-8-22-11(2)9-16(14(22)5)17(24)10-26-20(25)19-12(3)18(15(6)23)13(4)21-19/h9,21H,7-8,10H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7189 kcal/mol

Physical Properties
Molecular Weight: 358.438 g/mol	logS: -2.74112	SlogP: 3.96858	Reactive groups: 0

Topological Properties
Globularity: 0.018608	Sterimol/B1: 2.65716	Sterimol/B2: 3.79347	Sterimol/B3: 3.88936
Sterimol/B4: 5.99063	Sterimol/L: 20.7017

Surface and Volume Properties
Accessible surface: 670.507	Positive charged surface: 424.833	Negative charged surface: 245.674	Volume: 360.75
Hydrophobic surface: 511.77	Hydrophilic surface: 158.737

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.