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PEAKDALE-ZINC01496363

 MMsINC code: MMs02609982
Type: Neutral
Formula: C14H14N2O4
SMILES:   O(c1cc(ccc1)C(OC)=O)c1nc(cc(OC)n1)C
InChI:   InChI=1/C14H14N2O4/c1-9-7-12(18-2)16-14(15-9)20-11-6-4-5-10(8-11)13(17)19-3/h4-8H,1-3H3

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Potential Energy
Epot(MMFF94)=48.0252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.276 g/mol  logS: -3.72895  SlogP: 2.37252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116873  Sterimol/B1: 2.1673  Sterimol/B2: 3.53864  Sterimol/B3: 4.32115
  Sterimol/B4: 6.90981  Sterimol/L: 15.9653 
 
 Surface and Volume Properties
  Accessible surface: 506.922  Positive charged surface: 360.61  Negative charged surface: 146.312  Volume: 258.875
  Hydrophobic surface: 423.395  Hydrophilic surface: 83.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.