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PUBCHEM-ZINC06706589

 MMsINC code: MMs03843553
Type: Neutral
Formula: C4H9NO5
SMILES:   OC(C(O)CO)C(=O)NO
InChI:   InChI=1/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m0/s1

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Potential Energy
Epot(MMFF94)=61.8497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.118 g/mol  logS: 0.93513  SlogP: -2.7941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0963095  Sterimol/B1: 2.89928  Sterimol/B2: 3.0132  Sterimol/B3: 3.11701
  Sterimol/B4: 4.01638  Sterimol/L: 10.6195 
 
 Surface and Volume Properties
  Accessible surface: 312.57  Positive charged surface: 201.104  Negative charged surface: 111.466  Volume: 122.875
  Hydrophobic surface: 68.4664  Hydrophilic surface: 244.1036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.