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MMsINC code: MMs01426242

Type: Neutral
Formula: C₁₉H₁₉N₃O₂

SMILES:

O(CC(=O)Nc1cc(C)c(cc1)C)c1ccc(-n2ccnc2)cc1

InChI:

InChI=1/C19H19N3O2/c1-14-3-4-16(11-15(14)2)21-19(23)12-24-18-7-5-17(6-8-18)22-10-9-20-13-22/h3-11,13H,12H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.9 kcal/mol

Physical Properties
Molecular Weight: 321.38 g/mol	logS: -4.70162	SlogP: 3.50664	Reactive groups: 0

Topological Properties
Globularity: 0.0104812	Sterimol/B1: 2.51227	Sterimol/B2: 3.08108	Sterimol/B3: 3.09535
Sterimol/B4: 4.85382	Sterimol/L: 20.3799

Surface and Volume Properties
Accessible surface: 604.336	Positive charged surface: 371.728	Negative charged surface: 232.609	Volume: 316.625
Hydrophobic surface: 509.626	Hydrophilic surface: 94.71

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.