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PUBCHEM-ZINC05845912

 MMsINC code: MMs03413564
Type: Neutral
Formula: C15H29NO
SMILES:   O=C(N(CC)CC)C1CC(CCC1C(C)C)C
InChI:   InChI=1/C15H29NO/c1-6-16(7-2)15(17)14-10-12(5)8-9-13(14)11(3)4/h11-14H,6-10H2,1-5H3/t12-,13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=55.2808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.403 g/mol  logS: -4.22694  SlogP: 3.5632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247558  Sterimol/B1: 2.12592  Sterimol/B2: 2.87092  Sterimol/B3: 4.71687
  Sterimol/B4: 8.07488  Sterimol/L: 12.1596 
 
 Surface and Volume Properties
  Accessible surface: 466.655  Positive charged surface: 341.95  Negative charged surface: 124.705  Volume: 275.125
  Hydrophobic surface: 358.202  Hydrophilic surface: 108.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.