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CHEMBRIDGE-ZINC04844979

 MMsINC code: MMs00801289
Type: Neutral
Formula: C19H17NO3
SMILES:   O(C(=O)/C(/NC(=O)\C=C\c1ccccc1)=C/c1ccccc1)C
InChI:   InChI=1/C19H17NO3/c1-23-19(22)17(14-16-10-6-3-7-11-16)20-18(21)13-12-15-8-4-2-5-9-15/h2-14H,1H3,(H,20,21)/b13-12+,17-14+

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Potential Energy
Epot(MMFF94)=100.456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.349 g/mol  logS: -4.78427  SlogP: 3.0301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.021438  Sterimol/B1: 2.04927  Sterimol/B2: 2.47785  Sterimol/B3: 4.02985
  Sterimol/B4: 7.00128  Sterimol/L: 18.8673 
 
 Surface and Volume Properties
  Accessible surface: 580.973  Positive charged surface: 336.17  Negative charged surface: 244.803  Volume: 303.25
  Hydrophobic surface: 517.702  Hydrophilic surface: 63.271
 
 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.