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CHEMBRIDGE-ZINC00465421

 MMsINC code: MMs00624580
Type: Neutral
Formula: C16H29NO
SMILES:   O=C(N1CCCCC1CC)CCC1CCCCC1
InChI:   InChI=1/C16H29NO/c1-2-15-10-6-7-13-17(15)16(18)12-11-14-8-4-3-5-9-14/h14-15H,2-13H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=49.418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.414 g/mol  logS: -4.13866  SlogP: 4.138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060889  Sterimol/B1: 2.53916  Sterimol/B2: 2.87391  Sterimol/B3: 3.70155
  Sterimol/B4: 7.42921  Sterimol/L: 14.9415 
 
 Surface and Volume Properties
  Accessible surface: 519.629  Positive charged surface: 428.418  Negative charged surface: 91.2112  Volume: 280.875
  Hydrophobic surface: 480.958  Hydrophilic surface: 38.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.