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NCID-ZINC05463291

 MMsINC code: MMs02464442
Type: Neutral
Formula: C14H27NO
SMILES:   OC1CCCCCCC1C1NC(CCC1)C
InChI:   InChI=1/C14H27NO/c1-11-7-6-9-13(15-11)12-8-4-2-3-5-10-14(12)16/h11-16H,2-10H2,1H3/t11-,12-,13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=83.1898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -2.61244  SlogP: 2.8483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189068  Sterimol/B1: 2.39913  Sterimol/B2: 3.44134  Sterimol/B3: 4.68347
  Sterimol/B4: 6.08766  Sterimol/L: 12.1851 
 
 Surface and Volume Properties
  Accessible surface: 451.571  Positive charged surface: 356.353  Negative charged surface: 95.2182  Volume: 248.875
  Hydrophobic surface: 384.675  Hydrophilic surface: 66.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02464443
NCID-ZINC05463291