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PUBCHEM-ZINC05763638

 MMsINC code: MMs03376983
Type: Neutral
Formula: C11H23NO
SMILES:   OCCNC1CCC(CC1(C)C)C
InChI:   InChI=1/C11H23NO/c1-9-4-5-10(12-6-7-13)11(2,3)8-9/h9-10,12-13H,4-8H2,1-3H3/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=45.444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -1.54484  SlogP: 1.7831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.279114  Sterimol/B1: 2.24245  Sterimol/B2: 2.48656  Sterimol/B3: 4.59175
  Sterimol/B4: 6.83311  Sterimol/L: 10.9853 
 
 Surface and Volume Properties
  Accessible surface: 410.506  Positive charged surface: 325.718  Negative charged surface: 84.7877  Volume: 212.375
  Hydrophobic surface: 307.361  Hydrophilic surface: 103.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03376984
PUBCHEM-ZINC05763638