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PUBCHEM-ZINC03097276

 MMsINC code: MMs02993132
Type: Neutral
Formula: C12H24N2O2
SMILES:   O=C(N)CCCCCCCCCCC(=O)N
InChI:   InChI=1/C12H24N2O2/c13-11(15)9-7-5-3-1-2-4-6-8-10-12(14)16/h1-10H2,(H2,13,15)(H2,14,16)

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Potential Energy
Epot(MMFF94)=-3.25961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -3.40636  SlogP: 1.858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01597  Sterimol/B1: 2.37498  Sterimol/B2: 2.37586  Sterimol/B3: 2.94637
  Sterimol/B4: 3.82969  Sterimol/L: 20.3497 
 
 Surface and Volume Properties
  Accessible surface: 532.525  Positive charged surface: 415.141  Negative charged surface: 117.384  Volume: 251.125
  Hydrophobic surface: 311.544  Hydrophilic surface: 220.981
 
 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.