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CHEMBRIDGE-ZINC02074717

 MMsINC code: MMs00701506
Type: Neutral
Formula: C28H24N2O2
SMILES:   O=C(Nc1ccccc1-c1ccccc1NC(=O)c1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C28H24N2O2/c1-19-11-15-21(16-12-19)27(31)29-25-9-5-3-7-23(25)24-8-4-6-10-26(24)30-28(32)22-17-13-20(2)14-18-22/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)=137.681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.512 g/mol  logS: -8.69908  SlogP: 6.47504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.311647  Sterimol/B1: 2.50192  Sterimol/B2: 4.18655  Sterimol/B3: 5.97036
  Sterimol/B4: 10.4262  Sterimol/L: 13.1167 
 
 Surface and Volume Properties
  Accessible surface: 667.169  Positive charged surface: 397.766  Negative charged surface: 268.491  Volume: 424.375
  Hydrophobic surface: 630.849  Hydrophilic surface: 36.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.