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CHEMBRIDGE-ZINC04810291

 MMsINC code: MMs00788860
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(CC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C26H28N2O3/c1-26(2,3)20-9-15-23(16-10-20)31-18-25(30)28-22-13-11-21(12-14-22)27-24(29)17-19-7-5-4-6-8-19/h4-16H,17-18H2,1-3H3,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -7.48273  SlogP: 5.18277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0329283  Sterimol/B1: 2.89519  Sterimol/B2: 3.26613  Sterimol/B3: 4.85005
  Sterimol/B4: 6.21091  Sterimol/L: 24.0091 
 
 Surface and Volume Properties
  Accessible surface: 766.487  Positive charged surface: 476.959  Negative charged surface: 289.527  Volume: 420.75
  Hydrophobic surface: 624.182  Hydrophilic surface: 142.305
 
 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.