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MMsINC code: MMs01183450

Type: Neutral
Formula: C₂₃H₂₂N₄O₄

SMILES:

O1CCOC1CN(C(=O)c1ncoc1-c1ccccc1)Cc1nc2c(n1C)cccc2

InChI:

InChI=1/C23H22N4O4/c1-26-18-10-6-5-9-17(18)25-19(26)13-27(14-20-29-11-12-30-20)23(28)21-22(31-15-24-21)16-7-3-2-4-8-16/h2-10,15,20H,11-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.718 kcal/mol

Physical Properties
Molecular Weight: 418.453 g/mol	logS: -5.01593	SlogP: 3.8692	Reactive groups: 0

Topological Properties
Globularity: 0.19325	Sterimol/B1: 2.07014	Sterimol/B2: 3.78987	Sterimol/B3: 6.7934
Sterimol/B4: 8.21015	Sterimol/L: 15.2988

Surface and Volume Properties
Accessible surface: 620.875	Positive charged surface: 436.336	Negative charged surface: 184.539	Volume: 389.625
Hydrophobic surface: 522.233	Hydrophilic surface: 98.642

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.