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PUBCHEM-ZINC06267214

 MMsINC code: MMs03648348
Type: Neutral
Formula: C8H14N2O2
SMILES:   O(C(=O)C(NC1=NCCC1)C)C
InChI:   InChI=1/C8H14N2O2/c1-6(8(11)12-2)10-7-4-3-5-9-7/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=20.8503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -0.82579  SlogP: 0.3298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083271  Sterimol/B1: 2.15073  Sterimol/B2: 2.50006  Sterimol/B3: 4.27985
  Sterimol/B4: 5.17863  Sterimol/L: 13.0437 
 
 Surface and Volume Properties
  Accessible surface: 393.213  Positive charged surface: 317.482  Negative charged surface: 75.7316  Volume: 173.25
  Hydrophobic surface: 309.171  Hydrophilic surface: 84.042
 
 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.