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NCID-ZINC01653812

 MMsINC code: MMs02292730
Type: Neutral
Formula: C26H24NO3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)C(Nc1ccccc1C)c1ccccc1
InChI:   InChI=1/C26H24NO3P/c1-21-13-11-12-20-25(21)27-26(22-14-5-2-6-15-22)31(28,29-23-16-7-3-8-17-23)30-24-18-9-4-10-19-24/h2-20,26-27H,1H3/t26-/m0/s1

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Potential Energy
Epot(MMFF94)=154.563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.456 g/mol  logS: -6.41544  SlogP: 6.48212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.257464  Sterimol/B1: 2.99054  Sterimol/B2: 6.09912  Sterimol/B3: 6.75328
  Sterimol/B4: 7.70667  Sterimol/L: 15.3555 
 
 Surface and Volume Properties
  Accessible surface: 670.987  Positive charged surface: 376.166  Negative charged surface: 294.821  Volume: 417.75
  Hydrophobic surface: 655.152  Hydrophilic surface: 15.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.