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MMsINC code: MMs03407745

Type: Neutral
Formula: C₁₉H₂₀N₄O₂

SMILES:

O(C(C)C)c1cc(ccc1)CNC(=O)Nc1nc2c(cc1)cncc2

InChI:

InChI=1/C19H20N4O2/c1-13(2)25-16-5-3-4-14(10-16)11-21-19(24)23-18-7-6-15-12-20-9-8-17(15)22-18/h3-10,12-13H,11H2,1-2H3,(H2,21,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.1707 kcal/mol

Physical Properties
Molecular Weight: 336.395 g/mol	logS: -3.54255	SlogP: 4.0051	Reactive groups: 0

Topological Properties
Globularity: 0.081562	Sterimol/B1: 2.52169	Sterimol/B2: 3.45288	Sterimol/B3: 5.46111
Sterimol/B4: 8.04829	Sterimol/L: 18.127

Surface and Volume Properties
Accessible surface: 630.832	Positive charged surface: 430.854	Negative charged surface: 194.713	Volume: 328.375
Hydrophobic surface: 475.587	Hydrophilic surface: 155.245

Pharmacophoric Properties
Hydrogen bond donors: 2	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.