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NCID-ZINC05539447

 MMsINC code: MMs02471216
Type: Neutral
Formula: C16H27NO4
SMILES:   OC1C(CC(CC1C)C)C(O)CC1CC(=O)N(C)C(=O)C1
InChI:   InChI=1/C16H27NO4/c1-9-4-10(2)16(21)12(5-9)13(18)6-11-7-14(19)17(3)15(20)8-11/h9-13,16,18,21H,4-8H2,1-3H3/t9-,10+,12-,13+,16-/m0/s1

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Potential Energy
Epot(MMFF94)=57.6303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.395 g/mol  logS: -1.89282  SlogP: 1.1755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879762  Sterimol/B1: 2.35606  Sterimol/B2: 2.4723  Sterimol/B3: 4.58411
  Sterimol/B4: 5.93327  Sterimol/L: 15.3367 
 
 Surface and Volume Properties
  Accessible surface: 525.448  Positive charged surface: 392.651  Negative charged surface: 132.796  Volume: 295.25
  Hydrophobic surface: 350.703  Hydrophilic surface: 174.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.