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ACROSORGANICS-ZINC01849692

 MMsINC code: MMs00012101
Type: Neutral
Formula: C6H9NO6
SMILES:   OC(=O)CN(CC(O)=O)CC(O)=O
InChI:   InChI=1/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)

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Potential Energy
Epot(MMFF94)=60.5073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.139 g/mol  logS: 0.52405  SlogP: -1.4578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163114  Sterimol/B1: 2.60532  Sterimol/B2: 2.92184  Sterimol/B3: 3.4852
  Sterimol/B4: 6.887  Sterimol/L: 10.2835 
 
 Surface and Volume Properties
  Accessible surface: 359.118  Positive charged surface: 222.999  Negative charged surface: 136.119  Volume: 154.75
  Hydrophobic surface: 85.8054  Hydrophilic surface: 273.3126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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


MMs00012102
ACROSORGANICS-ZINC01849692