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CHEMDIV-ZINC02966707

 MMsINC code: MMs00899524
Type: Neutral
Formula: C16H28N2O3
SMILES:   O=C1N(C(CC1)C(=O)NCCCOCC)C1CCCCC1
InChI:   InChI=1/C16H28N2O3/c1-2-21-12-6-11-17-16(20)14-9-10-15(19)18(14)13-7-4-3-5-8-13/h13-14H,2-12H2,1H3,(H,17,20)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=34.6656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.411 g/mol  logS: -2.20498  SlogP: 1.8529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0463022  Sterimol/B1: 2.9796  Sterimol/B2: 3.75691  Sterimol/B3: 3.88494
  Sterimol/B4: 5.98771  Sterimol/L: 18.5932 
 
 Surface and Volume Properties
  Accessible surface: 590.567  Positive charged surface: 468.744  Negative charged surface: 121.823  Volume: 308.875
  Hydrophobic surface: 505.578  Hydrophilic surface: 84.989
 
 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.