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CHEMDIV-ZINC04686442

 MMsINC code: MMs00941983
Type: Neutral
Formula: C19H34N2O2
SMILES:   O=C1N(CCC(C)C)C(CC1)(C(=O)NC1CCCCCCC1)C
InChI:   InChI=1/C19H34N2O2/c1-15(2)12-14-21-17(22)11-13-19(21,3)18(23)20-16-9-7-5-4-6-8-10-16/h15-16H,4-14H2,1-3H3,(H,20,23)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=105.7 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.493 g/mol  logS: -4.45043  SlogP: 3.6427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113671  Sterimol/B1: 3.52725  Sterimol/B2: 4.33787  Sterimol/B3: 4.34474
  Sterimol/B4: 6.98069  Sterimol/L: 15.7361 
 
 Surface and Volume Properties
  Accessible surface: 584.818  Positive charged surface: 414.869  Negative charged surface: 169.949  Volume: 345.625
  Hydrophobic surface: 479.608  Hydrophilic surface: 105.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.