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MMsINC code: MMs01222575

Type: Neutral
Formula: C₁₉H₁₆N₄O₂

SMILES:

O=C1NC(=O)N(c2ncn(c12)Cc1ccccc1)Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.6575 kcal/mol

Physical Properties
Molecular Weight: 332.363 g/mol	logS: -4.33012	SlogP: 3.3342	Reactive groups: 0

Topological Properties
Globularity: 0.197343	Sterimol/B1: 2.99911	Sterimol/B2: 3.11804	Sterimol/B3: 5.99487
Sterimol/B4: 6.5461	Sterimol/L: 13.2781

Surface and Volume Properties
Accessible surface: 554.528	Positive charged surface: 335.11	Negative charged surface: 219.417	Volume: 313.625
Hydrophobic surface: 428.044	Hydrophilic surface: 126.484

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.