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MMsINC code: MMs02128594

Type: Neutral
Formula: C₁₉H₂₀N₄O₂

SMILES:

O(c1ncccc1NC(=O)C(C)(C)C)c1ncnc2c1cc(cc2)C

InChI:

InChI=1/C19H20N4O2/c1-12-7-8-14-13(10-12)16(22-11-21-14)25-17-15(6-5-9-20-17)23-18(24)19(2,3)4/h5-11H,1-4H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.863 kcal/mol

Physical Properties
Molecular Weight: 336.395 g/mol	logS: -4.57019	SlogP: 4.11012	Reactive groups: 0

Topological Properties
Globularity: 0.0436101	Sterimol/B1: 2.03523	Sterimol/B2: 3.1505	Sterimol/B3: 3.56866
Sterimol/B4: 10.3115	Sterimol/L: 15.0956

Surface and Volume Properties
Accessible surface: 593.279	Positive charged surface: 392.935	Negative charged surface: 195.034	Volume: 322.5
Hydrophobic surface: 440.752	Hydrophilic surface: 152.527

Pharmacophoric Properties
Hydrogen bond donors: 1	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.