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PUBCHEM-ZINC04892616

 MMsINC code: MMs03182102
Type: Neutral
Formula: C16H28N2O3
SMILES:   O=C1N(CCOC)C(CC1)(C(=O)NC1CCC(CC1)C)C
InChI:   InChI=1/C16H28N2O3/c1-12-4-6-13(7-5-12)17-15(20)16(2)9-8-14(19)18(16)10-11-21-3/h12-13H,4-11H2,1-3H3,(H,17,20)/t12-,13+,16-/m0/s1

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Potential Energy
Epot(MMFF94)=64.4944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.411 g/mol  logS: -2.51843  SlogP: 1.7088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186708  Sterimol/B1: 3.0872  Sterimol/B2: 4.25819  Sterimol/B3: 5.09552
  Sterimol/B4: 5.16151  Sterimol/L: 13.8314 
 
 Surface and Volume Properties
  Accessible surface: 538.957  Positive charged surface: 427.318  Negative charged surface: 111.639  Volume: 305.25
  Hydrophobic surface: 465.763  Hydrophilic surface: 73.194
 
 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.