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PUBCHEM-ZINC05796075

 MMsINC code: MMs03389899
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+/m1/s1

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Potential Energy
Epot(MMFF94)=16.9882 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: 0.0440784  Sterimol/B1: 3.39666  Sterimol/B2: 3.58318  Sterimol/B3: 4.31594
  Sterimol/B4: 4.5558  Sterimol/L: 18.8231 
 
 Surface and Volume Properties
  Accessible surface: 566.447  Positive charged surface: 429.693  Negative charged surface: 136.754  Volume: 289.375
  Hydrophobic surface: 457.52  Hydrophilic surface: 108.927
 
 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.