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AURORAFEINCHEMIE-ZINC03846893

 MMsINC code: MMs00456917
Type: Neutral
Formula: C7H11NO4
SMILES:   O(C(=O)C)C1NC(=O)C1C(O)C
InChI:   InChI=1/C7H11NO4/c1-3(9)5-6(11)8-7(5)12-4(2)10/h3,5,7,9H,1-2H3,(H,8,11)/t3-,5+,7-/m0/s1

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Potential Energy
Epot(MMFF94)=-7.41979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.168 g/mol  logS: -0.08936  SlogP: -0.9976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102264  Sterimol/B1: 2.53825  Sterimol/B2: 3.2354  Sterimol/B3: 3.7027
  Sterimol/B4: 4.82973  Sterimol/L: 11.7948 
 
 Surface and Volume Properties
  Accessible surface: 370.805  Positive charged surface: 210.694  Negative charged surface: 135.87  Volume: 156.75
  Hydrophobic surface: 179.124  Hydrophilic surface: 191.681
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.