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CHEMBRIDGE-ZINC04858065

 MMsINC code: MMs00804202
Type: Neutral
Formula: C14H22N2O4
SMILES:   O(C)c1c(OC)cc(NC(=O)N(CC)CC)cc1OC
InChI:   InChI=1/C14H22N2O4/c1-6-16(7-2)14(17)15-10-8-11(18-3)13(20-5)12(9-10)19-4/h8-9H,6-7H2,1-5H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=67.5882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: -2.12776  SlogP: 2.5861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115022  Sterimol/B1: 2.18218  Sterimol/B2: 5.60542  Sterimol/B3: 5.9705
  Sterimol/B4: 6.12247  Sterimol/L: 14.7091 
 
 Surface and Volume Properties
  Accessible surface: 540.527  Positive charged surface: 449.766  Negative charged surface: 90.7613  Volume: 282.75
  Hydrophobic surface: 455.179  Hydrophilic surface: 85.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.