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ASINEX-ZINC04611597

 MMsINC code: MMs00356108
Type: Neutral
Formula: C7H11NO6
SMILES:   O1C2NC(OC2C(O)C(O)C1CO)=O
InChI:   InChI=1/C7H11NO6/c9-1-2-3(10)4(11)5-6(13-2)8-7(12)14-5/h2-6,9-11H,1H2,(H,8,12)/t2-,3-,4-,5+,6+/m0/s1

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Potential Energy
Epot(MMFF94)=64.4305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.166 g/mol  logS: 0.44664  SlogP: -2.4662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.258315  Sterimol/B1: 2.62768  Sterimol/B2: 3.25426  Sterimol/B3: 3.84504
  Sterimol/B4: 5.68718  Sterimol/L: 10.2841 
 
 Surface and Volume Properties
  Accessible surface: 360.597  Positive charged surface: 241.879  Negative charged surface: 118.719  Volume: 162.125
  Hydrophobic surface: 90.7813  Hydrophilic surface: 269.8157
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.