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CHEMDIV-ZINC06847155

 MMsINC code: MMs01047230
Type: Neutral
Formula: C14H23N3O3
SMILES:   O=C1N(CC(=O)N2C1CCC2)CC(=O)NCCC(C)C
InChI:   InChI=1/C14H23N3O3/c1-10(2)5-6-15-12(18)8-16-9-13(19)17-7-3-4-11(17)14(16)20/h10-11H,3-9H2,1-2H3,(H,15,18)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=83.7514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -2.15691  SlogP: -0.0181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0451402  Sterimol/B1: 2.95244  Sterimol/B2: 3.31055  Sterimol/B3: 3.75797
  Sterimol/B4: 5.31557  Sterimol/L: 17.4539 
 
 Surface and Volume Properties
  Accessible surface: 541.663  Positive charged surface: 408.781  Negative charged surface: 132.881  Volume: 276.5
  Hydrophobic surface: 376.572  Hydrophilic surface: 165.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.