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NCID-ZINC01594546

 MMsINC code: MMs02248871
Type: Neutral
Formula: C35H29NO2
SMILES:   O=C(N(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(cc1)C)C(c1ccccc1)c1cccc
c1
InChI:   InChI=1/C35H29NO2/c1-26-22-24-31(25-23-26)36(34(37)32(27-14-6-2-7-15-27)28-16-8-3-9-17-28)35(38)33(29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-25,32-33H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=202.751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 495.622 g/mol  logS: -9.28587  SlogP: 7.51882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.386477  Sterimol/B1: 1.969  Sterimol/B2: 5.7333  Sterimol/B3: 6.20222
  Sterimol/B4: 10.827  Sterimol/L: 15.0502 
 
 Surface and Volume Properties
  Accessible surface: 784.653  Positive charged surface: 449.014  Negative charged surface: 335.638  Volume: 504.625
  Hydrophobic surface: 754.85  Hydrophilic surface: 29.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.