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PUBCHEM-ZINC04534053

 MMsINC code: MMs03130882
Type: Neutral
Formula: C4H8N4O4
SMILES:   OC(=O)NC(NC(=O)N)C(=O)N
InChI:   InChI=1/C4H8N4O4/c5-1(9)2(7-3(6)10)8-4(11)12/h2,8H,(H2,5,9)(H,11,12)(H3,6,7,10)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-35.9054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.132 g/mol  logS: 0.29333  SlogP: -2.2663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195264  Sterimol/B1: 3.01304  Sterimol/B2: 3.12037  Sterimol/B3: 4.04092
  Sterimol/B4: 4.59741  Sterimol/L: 9.73964 
 
 Surface and Volume Properties
  Accessible surface: 343.649  Positive charged surface: 216.207  Negative charged surface: 127.442  Volume: 138
  Hydrophobic surface: 6.26472  Hydrophilic surface: 337.38428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 4  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.