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CHEMBRIDGE-ZINC04893867

 MMsINC code: MMs00809255
Type: Neutral
Formula: C20H36N2O2
SMILES:   O=C(NC1CCCCCC1)CCCCC(=O)NC1CCCCCC1
InChI:   InChI=1/C20H36N2O2/c23-19(21-17-11-5-1-2-6-12-17)15-9-10-16-20(24)22-18-13-7-3-4-8-14-18/h17-18H,1-16H2,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=46.8856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.52 g/mol  logS: -4.07578  SlogP: 4.2248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0236781  Sterimol/B1: 2.71686  Sterimol/B2: 2.84251  Sterimol/B3: 3.96244
  Sterimol/B4: 5.04311  Sterimol/L: 21.8774 
 
 Surface and Volume Properties
  Accessible surface: 668.102  Positive charged surface: 532.495  Negative charged surface: 135.607  Volume: 362.375
  Hydrophobic surface: 589.937  Hydrophilic surface: 78.165
 
 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.