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ASINEX-ZINC00797320

 MMsINC code: MMs00168356
Type: Neutral
Formula: C32H21NO8
SMILES:   O=C1N(c2ccccc2C(OCC(=O)c2ccccc2)=O)C(=O)c2c1cc(cc2)C(OCC(=O)
c1ccccc1)=O
InChI:   InChI=1/C32H21NO8/c34-27(20-9-3-1-4-10-20)18-40-31(38)22-15-16-23-25(17-22)30(37)33(29(23)36)26-14-8-7-13-24(26)32(39)41-19-28(35)21-11-5-2-6-12-21/h1-17H,18-19H2

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Potential Energy
Epot(MMFF94)=164.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 547.519 g/mol  logS: -8.72055  SlogP: 4.5666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.033167  Sterimol/B1: 3.50371  Sterimol/B2: 4.95476  Sterimol/B3: 6.83602
  Sterimol/B4: 9.7528  Sterimol/L: 22.9054 
 
 Surface and Volume Properties
  Accessible surface: 878.103  Positive charged surface: 448.135  Negative charged surface: 429.969  Volume: 492.5
  Hydrophobic surface: 677.183  Hydrophilic surface: 200.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.