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NCID-ZINC05086630

 MMsINC code: MMs02439555
Type: Neutral
Formula: C6H11NO5
SMILES:   O1C(C(=O)N)C(O)C(O)C1CO
InChI:   InChI=1/C6H11NO5/c7-6(11)5-4(10)3(9)2(1-8)12-5/h2-5,8-10H,1H2,(H2,7,11)/t2-,3-,4-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=72.6242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.156 g/mol  logS: 0.44704  SlogP: -3.0468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187258  Sterimol/B1: 3.25752  Sterimol/B2: 3.40036  Sterimol/B3: 3.47495
  Sterimol/B4: 3.7069  Sterimol/L: 10.5179 
 
 Surface and Volume Properties
  Accessible surface: 339.156  Positive charged surface: 249.397  Negative charged surface: 89.7599  Volume: 147.875
  Hydrophobic surface: 106.733  Hydrophilic surface: 232.423
 
 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.