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PUBCHEM-ZINC05855532

 MMsINC code: MMs03419395
Type: Neutral
Formula: C15H27NO3
SMILES:   O(C(=O)CNC(=O)C1CCCCCC1C(C)C)CC
InChI:   InChI=1/C15H27NO3/c1-4-19-14(17)10-16-15(18)13-9-7-5-6-8-12(13)11(2)3/h11-13H,4-10H2,1-3H3,(H,16,18)/t12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=77.0613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.385 g/mol  logS: -4.41389  SlogP: 2.5182  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0876111  Sterimol/B1: 3.46459  Sterimol/B2: 3.96162  Sterimol/B3: 4.61645
  Sterimol/B4: 5.4906  Sterimol/L: 16.0549 
 
 Surface and Volume Properties
  Accessible surface: 525.719  Positive charged surface: 385.193  Negative charged surface: 140.526  Volume: 281.375
  Hydrophobic surface: 396.494  Hydrophilic surface: 129.225
 
 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.