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PUBCHEM-ZINC03647650

 MMsINC code: MMs03033250
Type: Neutral
Formula: C8H16N2O4
SMILES:   OC(=O)CCC(N)C(N)CCC(O)=O
InChI:   InChI=1/C8H16N2O4/c9-5(1-3-7(11)12)6(10)2-4-8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6+

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Potential Energy
Epot(MMFF94)=5.19464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.226 g/mol  logS: 0.86768  SlogP: -0.6294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0566161  Sterimol/B1: 2.69478  Sterimol/B2: 3.15254  Sterimol/B3: 3.49763
  Sterimol/B4: 4.05138  Sterimol/L: 15.303 
 
 Surface and Volume Properties
  Accessible surface: 413.821  Positive charged surface: 283.884  Negative charged surface: 129.937  Volume: 191.625
  Hydrophobic surface: 128.234  Hydrophilic surface: 285.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.