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PUBCHEM-ZINC07010644

 MMsINC code: MMs03910189
Type: Neutral
Formula: C16H27NO4
SMILES:   O1CCCC1CNC(=O)C1(CCC(C(O)=O)(C)C1(C)C)C
InChI:   InChI=1/C16H27NO4/c1-14(2)15(3,7-8-16(14,4)13(19)20)12(18)17-10-11-6-5-9-21-11/h11H,5-10H2,1-4H3,(H,17,18)(H,19,20)/t11-,15+,16-/m0/s1

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Potential Energy
Epot(MMFF94)=105.132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.395 g/mol  logS: -2.15506  SlogP: 2.1988  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169107  Sterimol/B1: 2.13988  Sterimol/B2: 4.52109  Sterimol/B3: 4.60942
  Sterimol/B4: 5.77043  Sterimol/L: 13.1818 
 
 Surface and Volume Properties
  Accessible surface: 498.554  Positive charged surface: 361.506  Negative charged surface: 137.049  Volume: 294.75
  Hydrophobic surface: 359.131  Hydrophilic surface: 139.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03910190
PUBCHEM-ZINC07010644