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PUBCHEM-ZINC05359303

 MMsINC code: MMs03248040
Type: Neutral
Formula: C12H25NO
SMILES:   O=C(NC(C)C)C(C(C)C)(C(C)C)C
InChI:   InChI=1/C12H25NO/c1-8(2)12(7,9(3)4)11(14)13-10(5)6/h8-10H,1-7H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=59.4285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.338 g/mol  logS: -3.09108  SlogP: 2.8293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251316  Sterimol/B1: 2.57943  Sterimol/B2: 2.5859  Sterimol/B3: 4.68555
  Sterimol/B4: 6.13919  Sterimol/L: 11.9585 
 
 Surface and Volume Properties
  Accessible surface: 423.347  Positive charged surface: 289.087  Negative charged surface: 134.26  Volume: 230.75
  Hydrophobic surface: 287.315  Hydrophilic surface: 136.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.