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PUBCHEM-ZINC03972138

 MMsINC code: MMs03086072
Type: Neutral
Formula: C16H24N2O6
SMILES:   OC(=O)C1N(CCC1)C(=O)CCCCC(=O)N1CCCC1C(O)=O
InChI:   InChI=1/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=57.9714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.376 g/mol  logS: -0.98752  SlogP: 0.698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0380986  Sterimol/B1: 2.53263  Sterimol/B2: 2.57348  Sterimol/B3: 4.41392
  Sterimol/B4: 5.73346  Sterimol/L: 18.0662 
 
 Surface and Volume Properties
  Accessible surface: 607.394  Positive charged surface: 444.915  Negative charged surface: 162.479  Volume: 318.25
  Hydrophobic surface: 393.678  Hydrophilic surface: 213.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs03086073
PUBCHEM-ZINC03972138