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PUBCHEM-ZINC06778339

 MMsINC code: MMs03858543
Type: Neutral
Formula: C19H34N2O2
SMILES:   O=C1N(CC(C1)C(=O)N(CCCC)CCCC)C1CCCCC1
InChI:   InChI=1/C19H34N2O2/c1-3-5-12-20(13-6-4-2)19(23)16-14-18(22)21(15-16)17-10-8-7-9-11-17/h16-17H,3-15H2,1-2H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=16.2916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.493 g/mol  logS: -3.07048  SlogP: 3.5964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0682861  Sterimol/B1: 2.34072  Sterimol/B2: 3.37923  Sterimol/B3: 3.89486
  Sterimol/B4: 10.8881  Sterimol/L: 15.8062 
 
 Surface and Volume Properties
  Accessible surface: 639.976  Positive charged surface: 497.01  Negative charged surface: 142.966  Volume: 354.25
  Hydrophobic surface: 552.815  Hydrophilic surface: 87.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.