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PUBCHEM-ZINC04671218

 MMsINC code: MMs03151228
Type: Neutral
Formula: C8H13NO5
SMILES:   O=C1NC(CC1)C(OCC(O)(O)C)=O
InChI:   InChI=1/C8H13NO5/c1-8(12,13)4-14-7(11)5-2-3-6(10)9-5/h5,12-13H,2-4H2,1H3,(H,9,10)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=28.6214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.194 g/mol  logS: -0.3819  SlogP: -1.491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0912318  Sterimol/B1: 1.9722  Sterimol/B2: 3.14619  Sterimol/B3: 3.25427
  Sterimol/B4: 4.74707  Sterimol/L: 12.8781 
 
 Surface and Volume Properties
  Accessible surface: 404.982  Positive charged surface: 268.674  Negative charged surface: 136.308  Volume: 178.75
  Hydrophobic surface: 186.331  Hydrophilic surface: 218.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.