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CHEMSTAR-ZINC03143803

 MMsINC code: MMs01083929
Type: Neutral
Formula: C30H24N2O7
SMILES:   O(c1ccc(NC(=O)c2ccc(cc2)C(OC)=O)cc1)c1ccc(NC(=O)c2ccc(cc2)C(
OC)=O)cc1
InChI:   InChI=1/C30H24N2O7/c1-37-29(35)21-7-3-19(4-8-21)27(33)31-23-11-15-25(16-12-23)39-26-17-13-24(14-18-26)32-28(34)20-5-9-22(10-6-20)30(36)38-2/h3-18H,1-2H3,(H,31,33)(H,32,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=171.482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 524.529 g/mol  logS: -7.87103  SlogP: 5.5567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199602  Sterimol/B1: 2.50272  Sterimol/B2: 3.53292  Sterimol/B3: 5.17995
  Sterimol/B4: 9.04323  Sterimol/L: 28.3187 
 
 Surface and Volume Properties
  Accessible surface: 877.811  Positive charged surface: 540.001  Negative charged surface: 337.81  Volume: 485.125
  Hydrophobic surface: 723.542  Hydrophilic surface: 154.269
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.