PUBCHEM-ZINC01532167

MMsINC code: MMs02813513

• Type: Neutral
• Formula: C₄H₆N₂O₄
• SMILES: OC(=O)C(=O)NC(=O)NC
• InChI: InChI=1/C4H6N2O4/c1-5-4(10)6-2(7)3(8)9/h1H3,(H,8,9)(H2,5,6,7,10)

Potential Energy
Epot(MMFF94)=5.01249 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 146.102 g/mol
• logS: 0.01252
• SlogP: -1.4734
• Reactive groups: 0

Topological Properties

• Globularity: 0.0133853
• Sterimol/B1: 2.37476
• Sterimol/B2: 2.37523
• Sterimol/B3: 3.25608
• Sterimol/B4: 3.29083
• Sterimol/L: 11.6264

Surface and Volume Properties

• Accessible surface: 310.325
• Positive charged surface: 207.832
• Negative charged surface: 102.493
• Volume: 116.25
• Hydrophobic surface: 88.5902
• Hydrophilic surface: 221.7348

Pharmacophoric Properties

• Hydrogen bond donors: 4
• 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