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PUBCHEM-ZINC04699261

 MMsINC code: MMs03159300
Type: Neutral
Formula: C19H36N2O3
SMILES:   O(C(C)(C)C)C(=O)N1CCC(CC1)C(=O)NC(CCCCCC)C
InChI:   InChI=1/C19H36N2O3/c1-6-7-8-9-10-15(2)20-17(22)16-11-13-21(14-12-16)18(23)24-19(3,4)5/h15-16H,6-14H2,1-5H3,(H,20,22)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=19.6191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.508 g/mol  logS: -4.11407  SlogP: 4.1086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486667  Sterimol/B1: 2.18659  Sterimol/B2: 3.36958  Sterimol/B3: 3.91032
  Sterimol/B4: 10.8245  Sterimol/L: 17.0974 
 
 Surface and Volume Properties
  Accessible surface: 686.995  Positive charged surface: 533.785  Negative charged surface: 153.21  Volume: 371.75
  Hydrophobic surface: 544.462  Hydrophilic surface: 142.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.