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PUBCHEM-ZINC05796073

 MMsINC code: MMs03389898
Type: Neutral
Formula: C15H27NO3
SMILES:   O(C(=O)CCCCC(=O)NC1CCCCC1C)CC
InChI:   InChI=1/C15H27NO3/c1-3-19-15(18)11-7-6-10-14(17)16-13-9-5-4-8-12(13)2/h12-13H,3-11H2,1-2H3,(H,16,17)/t12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=14.4995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.385 g/mol  logS: -2.33878  SlogP: 2.8048  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0269708  Sterimol/B1: 2.56272  Sterimol/B2: 3.49428  Sterimol/B3: 3.96741
  Sterimol/B4: 4.8943  Sterimol/L: 19.9185 
 
 Surface and Volume Properties
  Accessible surface: 572.507  Positive charged surface: 440.316  Negative charged surface: 132.192  Volume: 288.625
  Hydrophobic surface: 455.765  Hydrophilic surface: 116.742
 
 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.