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PUBCHEM-ZINC06282758

 MMsINC code: MMs03658555
Type: Neutral
Formula: C15H14N2O4
SMILES:   o1cccc1\C=C\C(=O)NNC(=O)COc1ccccc1
InChI:   InChI=1/C15H14N2O4/c18-14(9-8-13-7-4-10-20-13)16-17-15(19)11-21-12-5-2-1-3-6-12/h1-10H,11H2,(H,16,18)(H,17,19)/b9-8+

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Potential Energy
Epot(MMFF94)=66.9273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.287 g/mol  logS: -3.91761  SlogP: 1.5192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00152584  Sterimol/B1: 2.37393  Sterimol/B2: 2.37617  Sterimol/B3: 3.48515
  Sterimol/B4: 4.28179  Sterimol/L: 20.7405 
 
 Surface and Volume Properties
  Accessible surface: 562.372  Positive charged surface: 294.481  Negative charged surface: 267.89  Volume: 265.625
  Hydrophobic surface: 432.238  Hydrophilic surface: 130.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.