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COMGENEX-ZINC04930116

 MMsINC code: MMs01170947
Type: Neutral
Formula: C15H24N2O4
SMILES:   o1cc(cc1)C(=O)N(CCC(=O)NCCC)CCCOC
InChI:   InChI=1/C15H24N2O4/c1-3-7-16-14(18)5-9-17(8-4-10-20-2)15(19)13-6-11-21-12-13/h6,11-12H,3-5,7-10H2,1-2H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=66.8236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.367 g/mol  logS: -1.95155  SlogP: 1.6746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425898  Sterimol/B1: 3.04668  Sterimol/B2: 3.06089  Sterimol/B3: 3.3137
  Sterimol/B4: 8.83201  Sterimol/L: 17.6731 
 
 Surface and Volume Properties
  Accessible surface: 593.998  Positive charged surface: 411.408  Negative charged surface: 182.59  Volume: 297.75
  Hydrophobic surface: 472.875  Hydrophilic surface: 121.123
 
 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.