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ACROSORGANICS-ZINC00162133

 MMsINC code: MMs00005996
Type: Neutral
Formula: C8H14N2O4
SMILES:   O=C1NC(CCO)C(=O)NC1CCO
InChI:   InChI=1/C8H14N2O4/c11-3-1-5-7(13)10-6(2-4-12)8(14)9-5/h5-6,11-12H,1-4H2,(H,9,14)(H,10,13)/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=60.9986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: -0.08298  SlogP: -2.2656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202329  Sterimol/B1: 3.34749  Sterimol/B2: 3.62157  Sterimol/B3: 3.68448
  Sterimol/B4: 4.97214  Sterimol/L: 11.4508 
 
 Surface and Volume Properties
  Accessible surface: 391.777  Positive charged surface: 270.256  Negative charged surface: 121.521  Volume: 180.75
  Hydrophobic surface: 159.292  Hydrophilic surface: 232.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.