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CHEMBRIDGE-ZINC04134797

 MMsINC code: MMs00762798
Type: Neutral
Formula: C24H19NO4
SMILES:   O=C1N(CCC(OC\C=C\c2ccccc2)=O)C(=O)c2c3c1cccc3ccc2
InChI:   InChI=1/C24H19NO4/c26-21(29-16-6-9-17-7-2-1-3-8-17)14-15-25-23(27)19-12-4-10-18-11-5-13-20(22(18)19)24(25)28/h1-13H,14-16H2/b9-6+

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Potential Energy
Epot(MMFF94)=67.8959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.419 g/mol  logS: -6.37642  SlogP: 4.0825  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0579091  Sterimol/B1: 2.4048  Sterimol/B2: 4.58496  Sterimol/B3: 5.04241
  Sterimol/B4: 6.30481  Sterimol/L: 20.8916 
 
 Surface and Volume Properties
  Accessible surface: 671.453  Positive charged surface: 365.01  Negative charged surface: 297.046  Volume: 367.5
  Hydrophobic surface: 551.93  Hydrophilic surface: 119.523
 
 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.