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FDA-ZINC01547851

 MMsINC code: MMs01725629
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C1N(CCC1)C(CC)C(=O)N
InChI:   InChI=1/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=28.0896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -0.69719  SlogP: -0.1273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223119  Sterimol/B1: 2.24429  Sterimol/B2: 3.54201  Sterimol/B3: 3.56543
  Sterimol/B4: 6.45186  Sterimol/L: 10.0843 
 
 Surface and Volume Properties
  Accessible surface: 355.589  Positive charged surface: 251.855  Negative charged surface: 103.734  Volume: 167.875
  Hydrophobic surface: 215.65  Hydrophilic surface: 139.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.