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PUBCHEM-ZINC04096026

 MMsINC code: MMs03089685
Type: Neutral
Formula: C4H8N2O4
SMILES:   OC(=O)CC(N)C(=O)NO
InChI:   InChI=1/C4H8N2O4/c5-2(1-3(7)8)4(9)6-10/h2,10H,1,5H2,(H,6,9)(H,7,8)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=42.7212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.118 g/mol  logS: 0.75839  SlogP: -1.7062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107086  Sterimol/B1: 2.52909  Sterimol/B2: 2.56796  Sterimol/B3: 3.3232
  Sterimol/B4: 4.35821  Sterimol/L: 10.7567 
 
 Surface and Volume Properties
  Accessible surface: 313.764  Positive charged surface: 195.106  Negative charged surface: 118.658  Volume: 120.625
  Hydrophobic surface: 47.5369  Hydrophilic surface: 266.2271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.