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PUBCHEM-ZINC06753391

 MMsINC code: MMs03850454
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+/m0/s1

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Potential Energy
Epot(MMFF94)=90.0656 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: 0.228301  Sterimol/B1: 3.16668  Sterimol/B2: 3.26194  Sterimol/B3: 3.35949
  Sterimol/B4: 4.65227  Sterimol/L: 9.90721 
 
 Surface and Volume Properties
  Accessible surface: 360.984  Positive charged surface: 271.508  Negative charged surface: 89.4764  Volume: 167.625
  Hydrophobic surface: 112.538  Hydrophilic surface: 248.446
 
 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.