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PUBCHEM-ZINC02612611

 MMsINC code: MMs02907234
Type: Neutral
Formula: C33H28N2O5
SMILES:   O=C1N(C(c2ccccc2)c2ccccc2)C(=O)c2c1cc(cc2)C(OC(C(=O)Nc1ccc(c
c1C)C)C)=O
InChI:   InChI=1/C33H28N2O5/c1-20-14-17-28(21(2)18-20)34-30(36)22(3)40-33(39)25-15-16-26-27(19-25)32(38)35(31(26)37)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19,22,29H,1-3H3,(H,34,36)/t22-/m1/s1

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Potential Energy
Epot(MMFF94)=160.064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 532.596 g/mol  logS: -8.81029  SlogP: 5.96854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261338  Sterimol/B1: 3.29316  Sterimol/B2: 3.32841  Sterimol/B3: 4.73626
  Sterimol/B4: 8.33144  Sterimol/L: 23.4747 
 
 Surface and Volume Properties
  Accessible surface: 857.077  Positive charged surface: 488.121  Negative charged surface: 368.956  Volume: 508.875
  Hydrophobic surface: 726.128  Hydrophilic surface: 130.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.