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MMsINC code: MMs01014464

Type: Neutral
Formula: C₁₉H₁₆N₄O₂

SMILES:

O=C1N(c2ncccc2-n2c1ccc2)CC(=O)NCc1ccccc1

InChI:

InChI=1/C19H16N4O2/c24-17(21-12-14-6-2-1-3-7-14)13-23-18-15(8-4-10-20-18)22-11-5-9-16(22)19(23)25/h1-11H,12-13H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.6674 kcal/mol

Physical Properties
Molecular Weight: 332.363 g/mol	logS: -2.91098	SlogP: 2.4153	Reactive groups: 0

Topological Properties
Globularity: 0.0299264	Sterimol/B1: 3.08336	Sterimol/B2: 3.41062	Sterimol/B3: 5.21141
Sterimol/B4: 5.57354	Sterimol/L: 17.5308

Surface and Volume Properties
Accessible surface: 587.869	Positive charged surface: 337.913	Negative charged surface: 249.957	Volume: 312.375
Hydrophobic surface: 470.282	Hydrophilic surface: 117.587

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.