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PUBCHEM-ZINC05457730

 MMsINC code: MMs03275451
Type: Neutral
Formula: C13H27NO
SMILES:   O=C(NC(C(C)C)C)C(C(C)(C)C)(C)C
InChI:   InChI=1/C13H27NO/c1-9(2)10(3)14-11(15)13(7,8)12(4,5)6/h9-10H,1-8H3,(H,14,15)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=68.1 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.365 g/mol  logS: -2.9794  SlogP: 3.2194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155124  Sterimol/B1: 2.11674  Sterimol/B2: 3.66621  Sterimol/B3: 4.20593
  Sterimol/B4: 5.85971  Sterimol/L: 13.3051 
 
 Surface and Volume Properties
  Accessible surface: 452.102  Positive charged surface: 305.904  Negative charged surface: 146.198  Volume: 250.875
  Hydrophobic surface: 301.908  Hydrophilic surface: 150.194
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.