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CHEMBRIDGE-ZINC00370205

 MMsINC code: MMs00610789
Type: Neutral
Formula: C15H28N2O
SMILES:   O=C(NC1CCCCC1)NC1CCCCCCC1
InChI:   InChI=1/C15H28N2O/c18-15(17-14-11-7-4-8-12-14)16-13-9-5-2-1-3-6-10-13/h13-14H,1-12H2,(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=47.9946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.402 g/mol  logS: -3.57705  SlogP: 3.7312  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.092943  Sterimol/B1: 2.77403  Sterimol/B2: 2.9816  Sterimol/B3: 4.87884
  Sterimol/B4: 5.19816  Sterimol/L: 14.9751 
 
 Surface and Volume Properties
  Accessible surface: 508.477  Positive charged surface: 402.573  Negative charged surface: 105.904  Volume: 274.25
  Hydrophobic surface: 455.091  Hydrophilic surface: 53.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.