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PUBCHEM-ZINC05425907

 MMsINC code: MMs03266720
Type: Neutral
Formula: C16H31NO2
SMILES:   OC(=O)CCCCCCCCCCC1NCCCC1
InChI:   InChI=1/C16H31NO2/c18-16(19)13-8-6-4-2-1-3-5-7-11-15-12-9-10-14-17-15/h15,17H,1-14H2,(H,18,19)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=-4.13469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.429 g/mol  logS: -3.68602  SlogP: 4.1141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0180032  Sterimol/B1: 2.54181  Sterimol/B2: 3.09209  Sterimol/B3: 3.38752
  Sterimol/B4: 4.5388  Sterimol/L: 22.0109 
 
 Surface and Volume Properties
  Accessible surface: 614.333  Positive charged surface: 498.766  Negative charged surface: 115.567  Volume: 300.75
  Hydrophobic surface: 499.012  Hydrophilic surface: 115.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.