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CHEMBRIDGE-ZINC04974045

 MMsINC code: MMs00816264
Type: Neutral
Formula: C17H12N2O4
SMILES:   Oc1ccc(cc1)\C=C/1\C(=O)N(c2ccccc2)C(=O)NC\1=O
InChI:   InChI=1/C17H12N2O4/c20-13-8-6-11(7-9-13)10-14-15(21)18-17(23)19(16(14)22)12-4-2-1-3-5-12/h1-10,20H,(H,18,21,23)/b14-10-

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Potential Energy
Epot(MMFF94)=74.1839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.293 g/mol  logS: -4.16702  SlogP: 2.0586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111454  Sterimol/B1: 2.36495  Sterimol/B2: 3.48194  Sterimol/B3: 3.6316
  Sterimol/B4: 8.54059  Sterimol/L: 12.72 
 
 Surface and Volume Properties
  Accessible surface: 518.094  Positive charged surface: 287.459  Negative charged surface: 230.635  Volume: 273.25
  Hydrophobic surface: 344.584  Hydrophilic surface: 173.51
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.