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PUBCHEM-ZINC06046648

 MMsINC code: MMs03512935
Type: Neutral
Formula: C10H20N2O2
SMILES:   O=C(NCC)CCCCC(=O)NCC
InChI:   InChI=1/C10H20N2O2/c1-3-11-9(13)7-5-6-8-10(14)12-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=-1.68974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.75748  SlogP: 0.819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0177665  Sterimol/B1: 2.37516  Sterimol/B2: 2.37548  Sterimol/B3: 2.98748
  Sterimol/B4: 3.64072  Sterimol/L: 18.3142 
 
 Surface and Volume Properties
  Accessible surface: 480.446  Positive charged surface: 372.935  Negative charged surface: 107.511  Volume: 214.875
  Hydrophobic surface: 336.512  Hydrophilic surface: 143.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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.