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COMGENEX-ZINC04798702

 MMsINC code: MMs01162741
Type: Neutral
Formula: C18H28N2O3
SMILES:   o1cc(cc1)C(=O)N(CCCC)CCC(=O)NC1CCCCC1
InChI:   InChI=1/C18H28N2O3/c1-2-3-11-20(18(22)15-10-13-23-14-15)12-9-17(21)19-16-7-5-4-6-8-16/h10,13-14,16H,2-9,11-12H2,1H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=61.4864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.433 g/mol  logS: -3.5935  SlogP: 3.3609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0498466  Sterimol/B1: 2.31025  Sterimol/B2: 2.71988  Sterimol/B3: 3.96878
  Sterimol/B4: 9.65665  Sterimol/L: 16.7981 
 
 Surface and Volume Properties
  Accessible surface: 618.583  Positive charged surface: 418.507  Negative charged surface: 200.075  Volume: 330.625
  Hydrophobic surface: 516.691  Hydrophilic surface: 101.892
 
 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.