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CHEMSTAR-ZINC04016822

 MMsINC code: MMs01087728
Type: Neutral
Formula: C32H27NO7
SMILES:   O(C(=O)c1ccccc1)CC(NC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1
ccccc1
InChI:   InChI=1/C32H27NO7/c34-28(24-13-5-1-6-14-24)33-32(21-38-29(35)25-15-7-2-8-16-25,22-39-30(36)26-17-9-3-10-18-26)23-40-31(37)27-19-11-4-12-20-27/h1-20H,21-23H2,(H,33,34)

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Potential Energy
Epot(MMFF94)=149.158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 537.568 g/mol  logS: -8.05922  SlogP: 4.7262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14469  Sterimol/B1: 2.48174  Sterimol/B2: 3.51058  Sterimol/B3: 4.72896
  Sterimol/B4: 16.0408  Sterimol/L: 19.2327 
 
 Surface and Volume Properties
  Accessible surface: 894.998  Positive charged surface: 458.671  Negative charged surface: 436.327  Volume: 509.375
  Hydrophobic surface: 779.099  Hydrophilic surface: 115.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.