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NCID-ZINC04726530

 MMsINC code: MMs02398494
Type: Neutral
Formula: C14H27NO
SMILES:   OC1C2(CCC(C2(C)C)C1NCCCC)C
InChI:   InChI=1/C14H27NO/c1-5-6-9-15-11-10-7-8-14(4,12(11)16)13(10,2)3/h10-12,15-16H,5-9H2,1-4H3/t10-,11-,12-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=90.5829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -2.487  SlogP: 2.5617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160539  Sterimol/B1: 3.41732  Sterimol/B2: 3.93779  Sterimol/B3: 4.1993
  Sterimol/B4: 4.33481  Sterimol/L: 13.9934 
 
 Surface and Volume Properties
  Accessible surface: 471.351  Positive charged surface: 362.94  Negative charged surface: 108.41  Volume: 255.875
  Hydrophobic surface: 362.718  Hydrophilic surface: 108.633
 
 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


MMs02398495
NCID-ZINC04726530