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COMGENEX-ZINC04422315

 MMsINC code: MMs01138606
Type: Neutral
Formula: C20H32N2O3
SMILES:   o1cc(cc1)C(=O)N(CCCCCC)CCC(=O)NC1CCCCC1
InChI:   InChI=1/C20H32N2O3/c1-2-3-4-8-13-22(20(24)17-12-15-25-16-17)14-11-19(23)21-18-9-6-5-7-10-18/h12,15-16,18H,2-11,13-14H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=61.5383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.487 g/mol  logS: -4.62394  SlogP: 4.1411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0408672  Sterimol/B1: 2.59714  Sterimol/B2: 2.63411  Sterimol/B3: 4.02362
  Sterimol/B4: 9.89123  Sterimol/L: 18.988 
 
 Surface and Volume Properties
  Accessible surface: 676.576  Positive charged surface: 469.22  Negative charged surface: 207.356  Volume: 364.875
  Hydrophobic surface: 574.467  Hydrophilic surface: 102.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.