ASINEX-ZINC02140565

MMsINC code: MMs00264215

• Type: Neutral
• Formula: C₅H₄N₂O₃
• SMILES: OC(=O)C(=O)c1nc[nH]c1
• InChI: InChI=1/C5H4N2O3/c8-4(5(9)10)3-1-6-2-7-3/h1-2H,(H,6,7)(H,9,10)

Potential Energy
Epot(MMFF94)=36.6944 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 140.098 g/mol
• logS: -0.44277
• SlogP: -0.323
• Reactive groups: 0

Topological Properties

• Globularity: 1.84303e-07
• Sterimol/B1: 2.097
• Sterimol/B2: 2.09851
• Sterimol/B3: 2.63332
• Sterimol/B4: 4.50084
• Sterimol/L: 10.2226

Surface and Volume Properties

• Accessible surface: 294.389
• Positive charged surface: 180.491
• Negative charged surface: 113.898
• Volume: 114.375
• Hydrophobic surface: 87.8216
• Hydrophilic surface: 206.5674

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 5
• 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