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PUBCHEM-ZINC04894877

 MMsINC code: MMs03182288
Type: Neutral
Formula: C8H14N2O4
SMILES:   O(C(=O)C(NC(=O)CNC(=O)C)C)C
InChI:   InChI=1/C8H14N2O4/c1-5(8(13)14-3)10-7(12)4-9-6(2)11/h5H,4H2,1-3H3,(H,9,11)(H,10,12)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=32.6778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: -0.67842  SlogP: -1.1998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0428027  Sterimol/B1: 2.12434  Sterimol/B2: 2.52966  Sterimol/B3: 3.3343
  Sterimol/B4: 5.02204  Sterimol/L: 15.3288 
 
 Surface and Volume Properties
  Accessible surface: 434.696  Positive charged surface: 307.911  Negative charged surface: 126.785  Volume: 188.875
  Hydrophobic surface: 274.379  Hydrophilic surface: 160.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.