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MDPI-ZINC03846683

 MMsINC code: MMs02180189
Type: Neutral
Formula: C14H15NO4
SMILES:   O(C(=O)/C(/C=C/C(OC)=O)=C/Nc1ccccc1)C
InChI:   InChI=1/C14H15NO4/c1-18-13(16)9-8-11(14(17)19-2)10-15-12-6-4-3-5-7-12/h3-10,15H,1-2H3/b9-8+,11-10-

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Potential Energy
Epot(MMFF94)=77.6993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.277 g/mol  logS: -2.78566  SlogP: 1.8846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169869  Sterimol/B1: 2.84974  Sterimol/B2: 3.29936  Sterimol/B3: 3.37037
  Sterimol/B4: 7.07136  Sterimol/L: 16.9241 
 
 Surface and Volume Properties
  Accessible surface: 530.924  Positive charged surface: 327.508  Negative charged surface: 203.416  Volume: 252.25
  Hydrophobic surface: 444.325  Hydrophilic surface: 86.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.