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COMGENEX-ZINC04796254

 MMsINC code: MMs01161853
Type: Neutral
Formula: C16H26N2O3
SMILES:   o1cc(cc1)C(=O)N(CC(C)C)CCC(=O)NCC(C)C
InChI:   InChI=1/C16H26N2O3/c1-12(2)9-17-15(19)5-7-18(10-13(3)4)16(20)14-6-8-21-11-14/h6,8,11-13H,5,7,9-10H2,1-4H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=77.6602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.395 g/mol  logS: -2.53966  SlogP: 2.5401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0627047  Sterimol/B1: 3.06691  Sterimol/B2: 4.14067  Sterimol/B3: 4.75128
  Sterimol/B4: 5.34183  Sterimol/L: 17.289 
 
 Surface and Volume Properties
  Accessible surface: 569.912  Positive charged surface: 359.307  Negative charged surface: 210.604  Volume: 306.75
  Hydrophobic surface: 408.546  Hydrophilic surface: 161.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.