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CHEMDIV-ZINC02471479

 MMsINC code: MMs00879244
Type: Neutral
Formula: C6H12N2O4
SMILES:   OC(C(O)C(=O)NC)C(=O)NC
InChI:   InChI=1/C6H12N2O4/c1-7-5(11)3(9)4(10)6(12)8-2/h3-4,9-10H,1-2H3,(H,7,11)(H,8,12)/t3-,4+

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Potential Energy
Epot(MMFF94)=31.5786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.172 g/mol  logS: 0.4694  SlogP: -2.7998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511275  Sterimol/B1: 2.90349  Sterimol/B2: 3.08319  Sterimol/B3: 3.54244
  Sterimol/B4: 3.62877  Sterimol/L: 12.1864 
 
 Surface and Volume Properties
  Accessible surface: 364.364  Positive charged surface: 282.595  Negative charged surface: 81.7696  Volume: 160.125
  Hydrophobic surface: 207.849  Hydrophilic surface: 156.515
 
 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.