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ACROSORGANICS-ZINC00162126

 MMsINC code: MMs00005992
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-/m0/s1

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Potential Energy
Epot(MMFF94)=61.1089 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: 0.202372  Sterimol/B1: 3.34762  Sterimol/B2: 3.62118  Sterimol/B3: 3.68399
  Sterimol/B4: 4.973  Sterimol/L: 11.45 
 
 Surface and Volume Properties
  Accessible surface: 391.978  Positive charged surface: 270.174  Negative charged surface: 121.804  Volume: 180.75
  Hydrophobic surface: 159.818  Hydrophilic surface: 232.16
 
 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.