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PUBCHEM-ZINC02004440

 MMsINC code: MMs02845207
Type: Neutral
Formula: C10H14N2O2
SMILES:   O=C(NCCCC)c1[nH+]cccc1[O-]
InChI:   InChI=1/C10H14N2O2/c1-2-3-6-12-10(14)9-8(13)5-4-7-11-9/h4-5,7,13H,2-3,6H2,1H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=56.1533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.234 g/mol  logS: -1.3441  SlogP: 1.1744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0178437  Sterimol/B1: 2.37534  Sterimol/B2: 2.37683  Sterimol/B3: 3.44968
  Sterimol/B4: 5.3442  Sterimol/L: 14.6708 
 
 Surface and Volume Properties
  Accessible surface: 422.048  Positive charged surface: 285.379  Negative charged surface: 136.669  Volume: 192.25
  Hydrophobic surface: 280.532  Hydrophilic surface: 141.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 1  Basic groups: 1
  Chiral centers: 0
 
 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.