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MMsINC code: MMs02718959

Type: Neutral
Formula: C₂₄H₁₉N₃O₂

SMILES:

O(C)c1cc2c(cc1OC)c1c(nc2-c2ccccc2)n(nc1)-c1ccccc1

InChI:

InChI=1/C24H19N3O2/c1-28-21-13-18-19(14-22(21)29-2)23(16-9-5-3-6-10-16)26-24-20(18)15-25-27(24)17-11-7-4-8-12-17/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.447 kcal/mol

Physical Properties
Molecular Weight: 381.435 g/mol	logS: -7.73821	SlogP: 5.2579	Reactive groups: 0

Topological Properties
Globularity: 0.0355285	Sterimol/B1: 2.06437	Sterimol/B2: 2.67512	Sterimol/B3: 3.30745
Sterimol/B4: 11.7209	Sterimol/L: 16.4928

Surface and Volume Properties
Accessible surface: 641.875	Positive charged surface: 405.473	Negative charged surface: 218.156	Volume: 368.375
Hydrophobic surface: 601.909	Hydrophilic surface: 39.966

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.