PUBCHEM-ZINC05178800

MMsINC code: MMs03221026

• Type: Neutral
• Formula: C₄H₈N₂O₄
• SMILES: OC(=O)CN(N=O)CCO
• InChI: InChI=1/C4H8N2O4/c7-2-1-6(5-10)3-4(8)9/h7H,1-3H2,(H,8,9)

Potential Energy
Epot(MMFF94)=33.0269 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 148.118 g/mol
• logS: 0.41587
• SlogP: -0.9533
• Reactive groups: 0

Topological Properties

• Globularity: 0.153069
• Sterimol/B1: 2.44595
• Sterimol/B2: 2.49389
• Sterimol/B3: 3.52573
• Sterimol/B4: 4.86952
• Sterimol/L: 10.4444

Surface and Volume Properties

• Accessible surface: 313.999
• Positive charged surface: 197.658
• Negative charged surface: 116.341
• Volume: 124.125
• Hydrophobic surface: 172.931
• Hydrophilic surface: 141.068

Pharmacophoric Properties

• Hydrogen bond donors: 3
• 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