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PUBCHEM-ZINC04600268

 MMsINC code: MMs03140298
Type: Neutral
Formula: C15H27NO4
SMILES:   O(CCCC)CCCNC(=O)C1CCCCC1C(O)=O
InChI:   InChI=1/C15H27NO4/c1-2-3-10-20-11-6-9-16-14(17)12-7-4-5-8-13(12)15(18)19/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=18.9702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.384 g/mol  logS: -2.24334  SlogP: 2.2004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386479  Sterimol/B1: 3.29303  Sterimol/B2: 3.78627  Sterimol/B3: 4.23169
  Sterimol/B4: 5.39905  Sterimol/L: 18.6278 
 
 Surface and Volume Properties
  Accessible surface: 580.859  Positive charged surface: 457.923  Negative charged surface: 122.936  Volume: 295.375
  Hydrophobic surface: 448.822  Hydrophilic surface: 132.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03140299
PUBCHEM-ZINC04600268