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PUBCHEM-ZINC05763660

 MMsINC code: MMs03377015
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)=41.6411 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: 0.144339  Sterimol/B1: 3.01191  Sterimol/B2: 3.38789  Sterimol/B3: 3.78697
  Sterimol/B4: 5.16042  Sterimol/L: 12.7221 
 
 Surface and Volume Properties
  Accessible surface: 414.121  Positive charged surface: 331.457  Negative charged surface: 82.6641  Volume: 212.75
  Hydrophobic surface: 306.02  Hydrophilic surface: 108.101
 
 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


MMs03377016
PUBCHEM-ZINC05763660