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PEAKDALE-ZINC01498897

 MMsINC code: MMs02611116
Type: Neutral
Formula: C14H23NO4
SMILES:   O1CCCC1CNC(=O)CC1(CCCC1)CC(O)=O
InChI:   InChI=1/C14H23NO4/c16-12(15-10-11-4-3-7-19-11)8-14(9-13(17)18)5-1-2-6-14/h11H,1-10H2,(H,15,16)(H,17,18)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=51.8667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.341 g/mol  logS: -2.37842  SlogP: 1.7068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0862098  Sterimol/B1: 2.72015  Sterimol/B2: 2.72288  Sterimol/B3: 4.30424
  Sterimol/B4: 7.55288  Sterimol/L: 14.6208 
 
 Surface and Volume Properties
  Accessible surface: 516.777  Positive charged surface: 397.73  Negative charged surface: 119.047  Volume: 263.125
  Hydrophobic surface: 394.718  Hydrophilic surface: 122.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02611117
PEAKDALE-ZINC01498897