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COMGENEX-ZINC04893668

 MMsINC code: MMs01166526
Type: Neutral
Formula: C17H28N2O4
SMILES:   o1cc(cc1)C(=O)N(CCCCC)CCC(=O)NCCCOC
InChI:   InChI=1/C17H28N2O4/c1-3-4-5-10-19(17(21)15-8-13-23-14-15)11-7-16(20)18-9-6-12-22-2/h8,13-14H,3-7,9-12H2,1-2H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=62.2113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.421 g/mol  logS: -2.98199  SlogP: 2.4548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0320077  Sterimol/B1: 2.3526  Sterimol/B2: 3.04821  Sterimol/B3: 3.38475
  Sterimol/B4: 10.0752  Sterimol/L: 19.9055 
 
 Surface and Volume Properties
  Accessible surface: 657.579  Positive charged surface: 469.546  Negative charged surface: 188.032  Volume: 333.5
  Hydrophobic surface: 535.648  Hydrophilic surface: 121.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.