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MMsINC code: MMs01623411

Type: Neutral
Formula: C₁₉H₁₇N₃O₂

SMILES:

Oc1cc(O)ccc1/C(=N\Nc1ccccc1)/Cc1ncccc1

InChI:

InChI=1/C19H17N3O2/c23-16-9-10-17(19(24)13-16)18(12-15-8-4-5-11-20-15)22-21-14-6-2-1-3-7-14/h1-11,13,21,23-24H,12H2/b22-18-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.658 kcal/mol

Physical Properties
Molecular Weight: 319.364 g/mol	logS: -3.30596	SlogP: 3.55167	Reactive groups: 0

Topological Properties
Globularity: 0.154982	Sterimol/B1: 3.77247	Sterimol/B2: 3.78629	Sterimol/B3: 4.58938
Sterimol/B4: 7.60155	Sterimol/L: 15.4749

Surface and Volume Properties
Accessible surface: 580.919	Positive charged surface: 355.71	Negative charged surface: 225.21	Volume: 311.375
Hydrophobic surface: 478.98	Hydrophilic surface: 101.939

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.