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MMsINC code: MMs01769305

Type: Neutral
Formula: C₂₃H₂₀N₂O

SMILES:

O(C)c1ccc(cc1)-c1[nH]c(nc1-c1ccccc1)-c1ccccc1C

InChI:

InChI=1/C23H20N2O/c1-16-8-6-7-11-20(16)23-24-21(17-9-4-3-5-10-17)22(25-23)18-12-14-19(26-2)15-13-18/h3-15H,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4213 kcal/mol

Physical Properties
Molecular Weight: 340.426 g/mol	logS: -7.98942	SlogP: 5.72772	Reactive groups: 0

Topological Properties
Globularity: 0.041342	Sterimol/B1: 2.50086	Sterimol/B2: 3.85045	Sterimol/B3: 5.67685
Sterimol/B4: 6.66438	Sterimol/L: 17.099

Surface and Volume Properties
Accessible surface: 609.218	Positive charged surface: 384.107	Negative charged surface: 225.111	Volume: 347.625
Hydrophobic surface: 584.112	Hydrophilic surface: 25.106

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.