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PUBCHEM-ZINC01529764

 MMsINC code: MMs02813037
Type: Neutral
Formula: C8H16N2O3
SMILES:   OC(=O)CC(N)CCCNC(=O)C
InChI:   InChI=1/C8H16N2O3/c1-6(11)10-4-2-3-7(9)5-8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.67072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.227 g/mol  logS: 0.25687  SlogP: -0.2953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426667  Sterimol/B1: 2.45339  Sterimol/B2: 2.85895  Sterimol/B3: 3.29087
  Sterimol/B4: 3.7361  Sterimol/L: 15.435 
 
 Surface and Volume Properties
  Accessible surface: 420.891  Positive charged surface: 299.488  Negative charged surface: 121.403  Volume: 185.5
  Hydrophobic surface: 227.925  Hydrophilic surface: 192.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.