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PUBCHEM-ZINC05320200

 MMsINC code: MMs03239486
Type: Neutral
Formula: C7H13NO6
SMILES:   O1CC(O)C(O)C(O)C1NC(OC)=O
InChI:   InChI=1/C7H13NO6/c1-13-7(12)8-6-5(11)4(10)3(9)2-14-6/h3-6,9-11H,2H2,1H3,(H,8,12)/t3-,4-,5+,6-/m1/s1

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Potential Energy
Epot(MMFF94)=37.8345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.182 g/mol  logS: 0.59548  SlogP: -2.2186  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132822  Sterimol/B1: 2.75237  Sterimol/B2: 3.72991  Sterimol/B3: 3.81838
  Sterimol/B4: 4.53903  Sterimol/L: 11.7957 
 
 Surface and Volume Properties
  Accessible surface: 386.272  Positive charged surface: 294.714  Negative charged surface: 91.5583  Volume: 174.875
  Hydrophobic surface: 187.114  Hydrophilic surface: 199.158
 
 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.