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MMsINC code: MMs03117529

Type: Neutral
Formula: C₂₀H₂₆N₄O₂

SMILES:

O=C(N(CC(C)C)CCC(=O)NCc1ccccc1)c1ncc(nc1)C

InChI:

InChI=1/C20H26N4O2/c1-15(2)14-24(20(26)18-13-21-16(3)11-22-18)10-9-19(25)23-12-17-7-5-4-6-8-17/h4-8,11,13,15H,9-10,12,14H2,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1743 kcal/mol

Physical Properties
Molecular Weight: 354.454 g/mol	logS: -1.92819	SlogP: 2.85612	Reactive groups: 0

Topological Properties
Globularity: 0.0551998	Sterimol/B1: 2.21048	Sterimol/B2: 3.27607	Sterimol/B3: 3.93384
Sterimol/B4: 11.1212	Sterimol/L: 17.2142

Surface and Volume Properties
Accessible surface: 652.133	Positive charged surface: 450.55	Negative charged surface: 201.583	Volume: 358.75
Hydrophobic surface: 530.063	Hydrophilic surface: 122.07

Pharmacophoric Properties
Hydrogen bond donors: 1	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.