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MMsINC code: MMs01189586

Type: Neutral
Formula: C₂₀H₂₆N₄O₂

SMILES:

O1CCN(CC1)c1ncc(cc1)C(=O)N(Cc1ncccc1)CC(C)C

InChI:

InChI=1/C20H26N4O2/c1-16(2)14-24(15-18-5-3-4-8-21-18)20(25)17-6-7-19(22-13-17)23-9-11-26-12-10-23/h3-8,13,16H,9-12,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.883 kcal/mol

Physical Properties
Molecular Weight: 354.454 g/mol	logS: -2.09046	SlogP: 2.878	Reactive groups: 0

Topological Properties
Globularity: 0.103371	Sterimol/B1: 2.60572	Sterimol/B2: 3.2829	Sterimol/B3: 5.34878
Sterimol/B4: 8.70776	Sterimol/L: 15.6158

Surface and Volume Properties
Accessible surface: 622.673	Positive charged surface: 464.736	Negative charged surface: 157.937	Volume: 354.125
Hydrophobic surface: 517.477	Hydrophilic surface: 105.196

Pharmacophoric Properties
Hydrogen bond donors: 0	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.