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NCID-ZINC05086633

 MMsINC code: MMs02439557
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)=70.8795 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: 0.119832  Sterimol/B1: 2.86024  Sterimol/B2: 3.3707  Sterimol/B3: 3.5564
  Sterimol/B4: 4.64486  Sterimol/L: 10.3848 
 
 Surface and Volume Properties
  Accessible surface: 339.94  Positive charged surface: 246.728  Negative charged surface: 93.2113  Volume: 148.375
  Hydrophobic surface: 105.541  Hydrophilic surface: 234.399
 
 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.