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PUBCHEM-ZINC02956195

 MMsINC code: MMs02966475
Type: Neutral
Formula: C32H25NO2
SMILES:   O=C1N(c2ccccc2-c2ccccc2)C(=O)C2C1C1(c3c(cccc3)C2(c2c1cccc2)C
)C
InChI:   InChI=1/C32H25NO2/c1-31-22-15-7-9-17-24(22)32(2,25-18-10-8-16-23(25)31)28-27(31)29(34)33(30(28)35)26-19-11-6-14-21(26)20-12-4-3-5-13-20/h3-19,27-28H,1-2H3/t27-,28-,31-,32+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=205.079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.557 g/mol  logS: -8.63957  SlogP: 6.0984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261137  Sterimol/B1: 1.97612  Sterimol/B2: 5.27928  Sterimol/B3: 6.75097
  Sterimol/B4: 7.69099  Sterimol/L: 15.1853 
 
 Surface and Volume Properties
  Accessible surface: 657.564  Positive charged surface: 363.462  Negative charged surface: 291.324  Volume: 445.125
  Hydrophobic surface: 590.465  Hydrophilic surface: 67.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.