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CHEMBRIDGE-ZINC04745520

 MMsINC code: MMs00782571
Type: Neutral
Formula: C12H24N2O2
SMILES:   O=C(NCCCCCCNC(=O)CC)CC
InChI:   InChI=1/C12H24N2O2/c1-3-11(15)13-9-7-5-6-8-10-14-12(16)4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)

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Potential Energy
Epot(MMFF94)=-1.7868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -1.16102  SlogP: 1.5992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143861  Sterimol/B1: 2.37503  Sterimol/B2: 2.37561  Sterimol/B3: 2.91038
  Sterimol/B4: 3.46149  Sterimol/L: 20.8068 
 
 Surface and Volume Properties
  Accessible surface: 542.726  Positive charged surface: 428.475  Negative charged surface: 114.25  Volume: 253.5
  Hydrophobic surface: 402.301  Hydrophilic surface: 140.425
 
 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.