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MMsINC code: MMs03169422

Type: Neutral
Formula: C₂₀H₁₈N₄O₄

SMILES:

O=[N+]([O-])c1ccccc1NCc1cc(ccc1)CNc1ccccc1[N+](=O)[O-]

InChI:

InChI=1/C20H18N4O4/c25-23(26)19-10-3-1-8-17(19)21-13-15-6-5-7-16(12-15)14-22-18-9-2-4-11-20(18)24(27)28/h1-12,21-22H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.416 kcal/mol

Physical Properties
Molecular Weight: 378.388 g/mol	logS: -6.09406	SlogP: 5.26	Reactive groups: 0

Topological Properties
Globularity: 0.109671	Sterimol/B1: 2.63722	Sterimol/B2: 3.43869	Sterimol/B3: 6.67977
Sterimol/B4: 7.16982	Sterimol/L: 18.4063

Surface and Volume Properties
Accessible surface: 646.649	Positive charged surface: 310	Negative charged surface: 336.649	Volume: 343.5
Hydrophobic surface: 478.853	Hydrophilic surface: 167.796

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.