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PUBCHEM-ZINC02033136

 MMsINC code: MMs02859725
Type: Neutral
Formula: C5H8N2O4
SMILES:   OC1(C)C(O)NC(=O)NC1=O
InChI:   InChI=1/C5H8N2O4/c1-5(11)2(8)6-4(10)7-3(5)9/h2,8,11H,1H3,(H2,6,7,9,10)/t2-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=-9.88345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.129 g/mol  logS: 0.05666  SlogP: -2.1048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.468688  Sterimol/B1: 2.16464  Sterimol/B2: 3.60174  Sterimol/B3: 3.65883
  Sterimol/B4: 4.43512  Sterimol/L: 8.48561 
 
 Surface and Volume Properties
  Accessible surface: 306.552  Positive charged surface: 185.888  Negative charged surface: 120.664  Volume: 127.5
  Hydrophobic surface: 61.5082  Hydrophilic surface: 245.0438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.