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MMsINC code: MMs01191308

Type: Neutral
Formula: C₁₉H₂₀N₄O₃

SMILES:

O=C1N(C(C)C)C(=O)N(c2c1cccc2)CC(=O)NCc1ncccc1

InChI:

InChI=1/C19H20N4O3/c1-13(2)23-18(25)15-8-3-4-9-16(15)22(19(23)26)12-17(24)21-11-14-7-5-6-10-20-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1713 kcal/mol

Physical Properties
Molecular Weight: 352.394 g/mol	logS: -3.21559	SlogP: 2.455	Reactive groups: 0

Topological Properties
Globularity: 0.0484898	Sterimol/B1: 2.1424	Sterimol/B2: 2.41321	Sterimol/B3: 4.88177
Sterimol/B4: 8.67923	Sterimol/L: 17.1315

Surface and Volume Properties
Accessible surface: 624.474	Positive charged surface: 396.409	Negative charged surface: 228.065	Volume: 333.375
Hydrophobic surface: 475.491	Hydrophilic surface: 148.983

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.