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PUBCHEM-ZINC04578728

 MMsINC code: MMs03137252
Type: Neutral
Formula: C10H23NO2
SMILES:   OCCCCCN(CCC)CCO
InChI:   InChI=1/C10H23NO2/c1-2-6-11(8-10-13)7-4-3-5-9-12/h12-13H,2-10H2,1H3

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Potential Energy
Epot(MMFF94)=26.9571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.299 g/mol  logS: -0.21764  SlogP: 0.8533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0794588  Sterimol/B1: 2.1868  Sterimol/B2: 3.08499  Sterimol/B3: 3.30926
  Sterimol/B4: 7.67305  Sterimol/L: 13.9779 
 
 Surface and Volume Properties
  Accessible surface: 465.007  Positive charged surface: 388.901  Negative charged surface: 76.1065  Volume: 216.125
  Hydrophobic surface: 338.749  Hydrophilic surface: 126.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03137253
PUBCHEM-ZINC04578728