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PUBCHEM-ZINC05924018

 MMsINC code: MMs03445407
Type: Neutral
Formula: C14H27NO
SMILES:   OC1(CC(N(C2C1CCCC2)CC)C)CC
InChI:   InChI=1/C14H27NO/c1-4-14(16)10-11(3)15(5-2)13-9-7-6-8-12(13)14/h11-13,16H,4-10H2,1-3H3/t11-,12-,13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=135.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -2.1656  SlogP: 2.8004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261812  Sterimol/B1: 2.44058  Sterimol/B2: 2.51945  Sterimol/B3: 4.49639
  Sterimol/B4: 8.42937  Sterimol/L: 10.3119 
 
 Surface and Volume Properties
  Accessible surface: 427.539  Positive charged surface: 325.323  Negative charged surface: 102.216  Volume: 247.375
  Hydrophobic surface: 342.763  Hydrophilic surface: 84.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03445408
PUBCHEM-ZINC05924018