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CHEMSTAR-ZINC02745759

 MMsINC code: MMs01082110
Type: Neutral
Formula: C28H24N2O4
SMILES:   O(C)c1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)Nc2cc(OC)ccc2)ccc1
InChI:   InChI=1/C28H24N2O4/c1-33-21-11-7-9-19(17-21)29-27(31)25-15-5-3-13-23(25)24-14-4-6-16-26(24)28(32)30-20-10-8-12-22(18-20)34-2/h3-18H,1-2H3,(H,29,31)(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=176.63 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.51 g/mol  logS: -7.852  SlogP: 5.8754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.372447  Sterimol/B1: 2.04789  Sterimol/B2: 5.17405  Sterimol/B3: 6.61884
  Sterimol/B4: 12.5186  Sterimol/L: 14.5959 
 
 Surface and Volume Properties
  Accessible surface: 746.982  Positive charged surface: 487.24  Negative charged surface: 257.776  Volume: 433.375
  Hydrophobic surface: 700.473  Hydrophilic surface: 46.509
 
 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: 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.