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PUBCHEM-ZINC06905465

 MMsINC code: MMs03896145
Type: Neutral
Formula: C7H13NO5
SMILES:   O1CC(O)C(O)C(O)C1NC(=O)C
InChI:   InChI=1/C7H13NO5/c1-3(9)8-7-6(12)5(11)4(10)2-13-7/h4-7,10-12H,2H2,1H3,(H,8,9)/t4-,5-,6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=42.954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.183 g/mol  logS: 0.66494  SlogP: -2.4385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110119  Sterimol/B1: 3.03649  Sterimol/B2: 3.31923  Sterimol/B3: 3.49972
  Sterimol/B4: 4.4724  Sterimol/L: 11.8951 
 
 Surface and Volume Properties
  Accessible surface: 374.07  Positive charged surface: 262.432  Negative charged surface: 111.638  Volume: 165.75
  Hydrophobic surface: 185.74  Hydrophilic surface: 188.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.