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CHEMDIV-ZINC03907758

 MMsINC code: MMs00919818
Type: Neutral
Formula: C14H14N2O4
SMILES:   o1nc(cc1-c1ccc(O)cc1)C(=O)N1CCOCC1
InChI:   InChI=1/C14H14N2O4/c17-11-3-1-10(2-4-11)13-9-12(15-20-13)14(18)16-5-7-19-8-6-16/h1-4,9,17H,5-8H2

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Potential Energy
Epot(MMFF94)=103.87 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.276 g/mol  logS: -2.549  SlogP: 1.5196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0249097  Sterimol/B1: 2.78634  Sterimol/B2: 2.91942  Sterimol/B3: 3.39585
  Sterimol/B4: 5.33203  Sterimol/L: 16.5973 
 
 Surface and Volume Properties
  Accessible surface: 488.803  Positive charged surface: 324.125  Negative charged surface: 164.677  Volume: 246.375
  Hydrophobic surface: 370.82  Hydrophilic surface: 117.983
 
 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.