MMsINC Database Search


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MMsINC code: MMs01081195

Type: Neutral
Formula: C₂₄H₁₆N₂O₂

SMILES:

o1cc(nc1-c1ccc(cc1)-c1occ(n1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H16N2O2/c1-3-7-17(8-4-1)21-15-27-23(25-21)19-11-13-20(14-12-19)24-26-22(16-28-24)18-9-5-2-6-10-18/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9851 kcal/mol

Physical Properties
Molecular Weight: 364.404 g/mol	logS: -9.17562	SlogP: 6.3306	Reactive groups: 0

Topological Properties
Globularity: 2.34218e-07	Sterimol/B1: 2.10244	Sterimol/B2: 2.10254	Sterimol/B3: 3.10547
Sterimol/B4: 6.8498	Sterimol/L: 21.935

Surface and Volume Properties
Accessible surface: 649.958	Positive charged surface: 328.109	Negative charged surface: 321.848	Volume: 356.875
Hydrophobic surface: 606.572	Hydrophilic surface: 43.386

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: 0

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Ions/Tautomers related molecules: no related molecules available.