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NCID-ZINC01724860

 MMsINC code: MMs02348795
Type: Neutral
Formula: C27H20N2O3
SMILES:   O=C(c1ccc(NC(=O)Nc2ccc(cc2)C(=O)c2ccccc2)cc1)c1ccccc1
InChI:   InChI=1/C27H20N2O3/c30-25(19-7-3-1-4-8-19)21-11-15-23(16-12-21)28-27(32)29-24-17-13-22(14-18-24)26(31)20-9-5-2-6-10-20/h1-18H,(H2,28,29,32)

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Potential Energy
Epot(MMFF94)=157.778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.468 g/mol  logS: -7.39767  SlogP: 5.7926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386844  Sterimol/B1: 2.80664  Sterimol/B2: 3.20271  Sterimol/B3: 4.39372
  Sterimol/B4: 5.17787  Sterimol/L: 23.8086 
 
 Surface and Volume Properties
  Accessible surface: 719.183  Positive charged surface: 380.725  Negative charged surface: 338.458  Volume: 404.125
  Hydrophobic surface: 588.495  Hydrophilic surface: 130.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.