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PUBCHEM-ZINC04659149

 MMsINC code: MMs03148662
Type: Neutral
Formula: C18H32N2O2
SMILES:   O=C(NCCCCCCNC(=O)C1CCCC1)C1CCCC1
InChI:   InChI=1/C18H32N2O2/c21-17(15-9-3-4-10-15)19-13-7-1-2-8-14-20-18(22)16-11-5-6-12-16/h15-16H,1-14H2,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=20.4908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.466 g/mol  logS: -3.42136  SlogP: 3.1596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148957  Sterimol/B1: 2.41882  Sterimol/B2: 2.9541  Sterimol/B3: 3.24838
  Sterimol/B4: 4.88367  Sterimol/L: 22.9325 
 
 Surface and Volume Properties
  Accessible surface: 667.34  Positive charged surface: 533.769  Negative charged surface: 133.571  Volume: 333.625
  Hydrophobic surface: 588.307  Hydrophilic surface: 79.033
 
 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.