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PUBCHEM-ZINC05244876

 MMsINC code: MMs03227333
Type: Neutral
Formula: C13H25NO2
SMILES:   O=C1N(CCO)C(CC1CCCCCC)C
InChI:   InChI=1/C13H25NO2/c1-3-4-5-6-7-12-10-11(2)14(8-9-15)13(12)16/h11-12,15H,3-10H2,1-2H3/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=26.944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.348 g/mol  logS: -2.79219  SlogP: 2.1861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059388  Sterimol/B1: 2.99151  Sterimol/B2: 3.51827  Sterimol/B3: 3.56574
  Sterimol/B4: 5.28329  Sterimol/L: 15.2114 
 
 Surface and Volume Properties
  Accessible surface: 498.547  Positive charged surface: 405.162  Negative charged surface: 93.3855  Volume: 254.125
  Hydrophobic surface: 393.831  Hydrophilic surface: 104.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.