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PUBCHEM-ZINC06031692

 MMsINC code: MMs03504303
Type: Neutral
Formula: C5H8N2O3
SMILES:   OC1NC(=O)NC(=O)C1C
InChI:   InChI=1/C5H8N2O3/c1-2-3(8)6-5(10)7-4(2)9/h2-3,8H,1H3,(H2,6,7,9,10)/t2-,3+/m1/s1

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Potential Energy
Epot(MMFF94)=-40.4446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.13 g/mol  logS: 0.09764  SlogP: -1.2197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.350765  Sterimol/B1: 2.26677  Sterimol/B2: 2.54596  Sterimol/B3: 4.07823
  Sterimol/B4: 4.85679  Sterimol/L: 8.02552 
 
 Surface and Volume Properties
  Accessible surface: 294.152  Positive charged surface: 186.012  Negative charged surface: 108.14  Volume: 120.625
  Hydrophobic surface: 85.1423  Hydrophilic surface: 209.0097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.