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PUBCHEM-ZINC06753354

 MMsINC code: MMs03850405
Type: Neutral
Formula: C7H13NO6
SMILES:   O1C(C(=O)N)C(O)C(O)C(O)C1CO
InChI:   InChI=1/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3+,4+,5+,6-/m1/s1

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Potential Energy
Epot(MMFF94)=82.2548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.182 g/mol  logS: 0.64958  SlogP: -3.6859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179802  Sterimol/B1: 3.10056  Sterimol/B2: 3.24735  Sterimol/B3: 3.26558
  Sterimol/B4: 5.65265  Sterimol/L: 10.3607 
 
 Surface and Volume Properties
  Accessible surface: 375.221  Positive charged surface: 277.846  Negative charged surface: 97.3746  Volume: 170
  Hydrophobic surface: 110.482  Hydrophilic surface: 264.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.