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COMGENEX-ZINC04752636

 MMsINC code: MMs01157301
Type: Neutral
Formula: C14H22N2O4
SMILES:   o1cc(cc1)C(=O)N(CCC(=O)NCCCOC)CC
InChI:   InChI=1/C14H22N2O4/c1-3-16(14(18)12-6-10-20-11-12)8-5-13(17)15-7-4-9-19-2/h6,10-11H,3-5,7-9H2,1-2H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=62.7151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: -1.74978  SlogP: 1.2845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294844  Sterimol/B1: 2.20399  Sterimol/B2: 3.11285  Sterimol/B3: 3.19022
  Sterimol/B4: 6.92933  Sterimol/L: 19.6201 
 
 Surface and Volume Properties
  Accessible surface: 563.128  Positive charged surface: 392.032  Negative charged surface: 171.096  Volume: 279.875
  Hydrophobic surface: 439.956  Hydrophilic surface: 123.172
 
 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.