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CHEMDIV-ZINC02964900

 MMsINC code: MMs00899155
Type: Neutral
Formula: C16H28N2O3
SMILES:   O=C1N(C(CC1)C(=O)NCCCOC(C)C)C1CCCC1
InChI:   InChI=1/C16H28N2O3/c1-12(2)21-11-5-10-17-16(20)14-8-9-15(19)18(14)13-6-3-4-7-13/h12-14H,3-11H2,1-2H3,(H,17,20)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=48.9208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.411 g/mol  logS: -2.01697  SlogP: 1.8513  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412247  Sterimol/B1: 2.91386  Sterimol/B2: 3.08941  Sterimol/B3: 4.07469
  Sterimol/B4: 6.50232  Sterimol/L: 18.0974 
 
 Surface and Volume Properties
  Accessible surface: 597.316  Positive charged surface: 463.894  Negative charged surface: 133.422  Volume: 308
  Hydrophobic surface: 498.723  Hydrophilic surface: 98.593
 
 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.