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CHEMBRIDGE-ZINC02074714

 MMsINC code: MMs00701505
Type: Neutral
Formula: C28H24N2O2
SMILES:   O=C(Nc1ccccc1-c1ccccc1NC(=O)c1ccccc1C)c1ccccc1C
InChI:   InChI=1/C28H24N2O2/c1-19-11-3-5-13-21(19)27(31)29-25-17-9-7-15-23(25)24-16-8-10-18-26(24)30-28(32)22-14-6-4-12-20(22)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)=159.182 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: 0.539772  Sterimol/B1: 2.44534  Sterimol/B2: 4.11739  Sterimol/B3: 6.74195
  Sterimol/B4: 7.68504  Sterimol/L: 12.3657 
 
 Surface and Volume Properties
  Accessible surface: 658.454  Positive charged surface: 376.832  Negative charged surface: 280.961  Volume: 421.375
  Hydrophobic surface: 639.743  Hydrophilic surface: 18.711
 
 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.