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PUBCHEM-ZINC03075382

 MMsINC code: MMs02990005
Type: Neutral
Formula: C6H12N2O3
SMILES:   O(C(=O)CCNC(=O)N)CC
InChI:   InChI=1/C6H12N2O3/c1-2-11-5(9)3-4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10)

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Potential Energy
Epot(MMFF94)=-28.1812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.173 g/mol  logS: -0.32762  SlogP: -0.3921  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.023226  Sterimol/B1: 2.1675  Sterimol/B2: 2.37492  Sterimol/B3: 2.37586
  Sterimol/B4: 3.77001  Sterimol/L: 14.2124 
 
 Surface and Volume Properties
  Accessible surface: 373.782  Positive charged surface: 273.65  Negative charged surface: 100.132  Volume: 151.125
  Hydrophobic surface: 180.952  Hydrophilic surface: 192.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.