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COMGENEX-ZINC04717794

 MMsINC code: MMs01155063
Type: Neutral
Formula: C16H26N2O4
SMILES:   o1cc(cc1)C(=O)N(CCC(=O)NCCCC)CCCOC
InChI:   InChI=1/C16H26N2O4/c1-3-4-8-17-15(19)6-10-18(9-5-11-21-2)16(20)14-7-12-22-13-14/h7,12-13H,3-6,8-11H2,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=66.6735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.394 g/mol  logS: -2.46677  SlogP: 2.0647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373667  Sterimol/B1: 2.6988  Sterimol/B2: 3.82518  Sterimol/B3: 3.87131
  Sterimol/B4: 8.50235  Sterimol/L: 18.8427 
 
 Surface and Volume Properties
  Accessible surface: 617.335  Positive charged surface: 437.403  Negative charged surface: 179.932  Volume: 314.875
  Hydrophobic surface: 499.409  Hydrophilic surface: 117.926
 
 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.