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MMsINC code: MMs01955290

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(Cc1ccccc1C)c1cc(O)c(cc1)-c1ncncc1-c1ccccc1

InChI:

InChI=1/C24H20N2O2/c1-17-7-5-6-10-19(17)15-28-20-11-12-21(23(27)13-20)24-22(14-25-16-26-24)18-8-3-2-4-9-18/h2-14,16,27H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.593 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -7.03955	SlogP: 5.67002	Reactive groups: 0

Topological Properties
Globularity: 0.0674236	Sterimol/B1: 2.54783	Sterimol/B2: 3.99146	Sterimol/B3: 5.68031
Sterimol/B4: 7.25353	Sterimol/L: 17.533

Surface and Volume Properties
Accessible surface: 634.684	Positive charged surface: 395.489	Negative charged surface: 234.249	Volume: 363.5
Hydrophobic surface: 530.392	Hydrophilic surface: 104.292

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

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Ions/Tautomers related molecules: no related molecules available.