MMsINC Database Search


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MMsINC code: MMs00768555

Type: Neutral
Formula: C₂₂H₁₈N₄O₂

SMILES:

O=[N+]([O-])c1cc2c(ncnc2N(Cc2ccccc2)Cc2ccccc2)cc1

InChI:

InChI=1/C22H18N4O2/c27-26(28)19-11-12-21-20(13-19)22(24-16-23-21)25(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,16H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.279 kcal/mol

Physical Properties
Molecular Weight: 370.412 g/mol	logS: -6.69912	SlogP: 5.2776	Reactive groups: 0

Topological Properties
Globularity: 0.376458	Sterimol/B1: 3.45974	Sterimol/B2: 4.69047	Sterimol/B3: 6.45474
Sterimol/B4: 6.67799	Sterimol/L: 14.0482

Surface and Volume Properties
Accessible surface: 593.86	Positive charged surface: 326.677	Negative charged surface: 265.409	Volume: 351.25
Hydrophobic surface: 456.971	Hydrophilic surface: 136.889

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.