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ASINEX-ZINC02028082

 MMsINC code: MMs00260935
Type: Neutral
Formula: C8H16N2O6
SMILES:   OC(C(O)C(=O)NCCO)C(=O)NCCO
InChI:   InChI=1/C8H16N2O6/c11-3-1-9-7(15)5(13)6(14)8(16)10-2-4-12/h5-6,11-14H,1-4H2,(H,9,15)(H,10,16)/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=48.764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.224 g/mol  logS: 0.87448  SlogP: -4.0748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0639298  Sterimol/B1: 2.98215  Sterimol/B2: 3.4006  Sterimol/B3: 4.19052
  Sterimol/B4: 4.55105  Sterimol/L: 14.1457 
 
 Surface and Volume Properties
  Accessible surface: 462.928  Positive charged surface: 340.286  Negative charged surface: 122.642  Volume: 213.875
  Hydrophobic surface: 209.055  Hydrophilic surface: 253.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.