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CHEMBRIDGE-ZINC04555183

 MMsINC code: MMs00771634
Type: Neutral
Formula: C14H29NO
SMILES:   OCC(NC1CCC(CC1)C(C)(C)C)CC
InChI:   InChI=1/C14H29NO/c1-5-12(10-16)15-13-8-6-11(7-9-13)14(2,3)4/h11-13,15-16H,5-10H2,1-4H3/t11-,12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=57.5272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.392 g/mol  logS: -3.21594  SlogP: 2.9518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139796  Sterimol/B1: 3.51384  Sterimol/B2: 3.61403  Sterimol/B3: 4.04473
  Sterimol/B4: 4.67861  Sterimol/L: 13.8163 
 
 Surface and Volume Properties
  Accessible surface: 474.51  Positive charged surface: 361.393  Negative charged surface: 113.116  Volume: 262.5
  Hydrophobic surface: 357.219  Hydrophilic surface: 117.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00771635
CHEMBRIDGE-ZINC04555183