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PUBCHEM-ZINC02584374

 MMsINC code: MMs02904571
Type: Neutral
Formula: C13H27NO2
SMILES:   OC(=O)CCCCCCCCCCCNC
InChI:   InChI=1/C13H27NO2/c1-14-12-10-8-6-4-2-3-5-7-9-11-13(15)16/h14H,2-12H2,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=-5.01414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.364 g/mol  logS: -2.93187  SlogP: 3.1914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0161116  Sterimol/B1: 2.4517  Sterimol/B2: 2.50921  Sterimol/B3: 2.53577
  Sterimol/B4: 3.42608  Sterimol/L: 21.7869 
 
 Surface and Volume Properties
  Accessible surface: 559.712  Positive charged surface: 467.905  Negative charged surface: 91.8071  Volume: 263.125
  Hydrophobic surface: 433.977  Hydrophilic surface: 125.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.