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PUBCHEM-ZINC05763540

 MMsINC code: MMs03376876
Type: Neutral
Formula: C11H23NO
SMILES:   OCCNC1C(CCCC1C)(C)C
InChI:   InChI=1/C11H23NO/c1-9-5-4-6-11(2,3)10(9)12-7-8-13/h9-10,12-13H,4-8H2,1-3H3/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=50.6304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -1.23139  SlogP: 1.7831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.306648  Sterimol/B1: 2.46169  Sterimol/B2: 2.80764  Sterimol/B3: 4.78799
  Sterimol/B4: 7.19744  Sterimol/L: 10.4658 
 
 Surface and Volume Properties
  Accessible surface: 402.472  Positive charged surface: 318.256  Negative charged surface: 84.216  Volume: 208.75
  Hydrophobic surface: 304.913  Hydrophilic surface: 97.559
 
 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


MMs03376877
PUBCHEM-ZINC05763540