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PUBCHEM-ZINC05915062

 MMsINC code: MMs03442338
Type: Neutral
Formula: C20H38N2O2
SMILES:   O=C(NC1CC(CC(C1)(C)C)(CNC(=O)C(C)(C)C)C)C(C)(C)C
InChI:   InChI=1/C20H38N2O2/c1-17(2,3)15(23)21-13-20(9)11-14(10-19(7,8)12-20)22-16(24)18(4,5)6/h14H,10-13H2,1-9H3,(H,21,23)(H,22,24)/t14-,20+/m1/s1

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Potential Energy
Epot(MMFF94)=76.6681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.536 g/mol  logS: -3.42548  SlogP: 3.896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114538  Sterimol/B1: 2.67729  Sterimol/B2: 4.07106  Sterimol/B3: 5.01108
  Sterimol/B4: 7.55388  Sterimol/L: 15.6612 
 
 Surface and Volume Properties
  Accessible surface: 618.546  Positive charged surface: 432.065  Negative charged surface: 186.481  Volume: 373.125
  Hydrophobic surface: 434.364  Hydrophilic surface: 184.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.