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PUBCHEM-ZINC06020758

 MMsINC code: MMs03495913
Type: Neutral
Formula: C14H25NO4
SMILES:   O(C(CNC(=O)C1CCC(C(O)=O)(C)C1(C)C)C)C
InChI:   InChI=1/C14H25NO4/c1-9(19-5)8-15-11(16)10-6-7-14(4,12(17)18)13(10,2)3/h9-10H,6-8H2,1-5H3,(H,15,16)(H,17,18)/t9-,10-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=75.4637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.357 g/mol  logS: -1.72812  SlogP: 1.6646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130099  Sterimol/B1: 2.97239  Sterimol/B2: 3.07811  Sterimol/B3: 5.00508
  Sterimol/B4: 5.11126  Sterimol/L: 13.7718 
 
 Surface and Volume Properties
  Accessible surface: 504.304  Positive charged surface: 359.634  Negative charged surface: 144.669  Volume: 274.375
  Hydrophobic surface: 331.506  Hydrophilic surface: 172.798
 
 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


MMs03495914
PUBCHEM-ZINC06020758