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CHEMBRIDGE-ZINC01233044

 MMsINC code: MMs00692934
Type: Neutral
Formula: C24H17NO3
SMILES:   Oc1ccccc1N1C(=O)C2C(C3c4c(C2c2c3cccc2)cccc4)C1=O
InChI:   InChI=1/C24H17NO3/c26-18-12-6-5-11-17(18)25-23(27)21-19-13-7-1-2-8-14(13)20(22(21)24(25)28)16-10-4-3-9-15(16)19/h1-12,19-22,26H/t19-,20+,21-,22+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.404 g/mol  logS: -4.8208  SlogP: 3.7888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156262  Sterimol/B1: 2.34223  Sterimol/B2: 3.42463  Sterimol/B3: 4.61537
  Sterimol/B4: 7.61478  Sterimol/L: 15.8385 
 
 Surface and Volume Properties
  Accessible surface: 557.576  Positive charged surface: 318.656  Negative charged surface: 238.919  Volume: 340.375
  Hydrophobic surface: 487.892  Hydrophilic surface: 69.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.