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PUBCHEM-ZINC06159573

 MMsINC code: MMs03570690
Type: Neutral
Formula: C19H34N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC(CCCC(C)C)C)C1CCCCC1
InChI:   InChI=1/C19H34N2O2/c1-14(2)8-7-9-15(3)20-19(23)16-12-18(22)21(13-16)17-10-5-4-6-11-17/h14-17H,4-13H2,1-3H3,(H,20,23)/t15-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=19.1766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.493 g/mol  logS: -4.00514  SlogP: 3.4986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105305  Sterimol/B1: 2.56105  Sterimol/B2: 4.14814  Sterimol/B3: 4.73212
  Sterimol/B4: 8.67513  Sterimol/L: 16.0418 
 
 Surface and Volume Properties
  Accessible surface: 626.097  Positive charged surface: 482.651  Negative charged surface: 143.446  Volume: 351.125
  Hydrophobic surface: 516.416  Hydrophilic surface: 109.681
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.