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NCID-ZINC01582920

 MMsINC code: MMs02239883
Type: Neutral
Formula: C24H16N2O3
SMILES:   Oc1c2c(C(=O)N(C2=O)c2ccccc2)c(Nc2ccccc2)c2c1cccc2
InChI:   InChI=1/C24H16N2O3/c27-22-18-14-8-7-13-17(18)21(25-15-9-3-1-4-10-15)19-20(22)24(29)26(23(19)28)16-11-5-2-6-12-16/h1-14,25,27H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.749 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.403 g/mol  logS: -6.89484  SlogP: 5.0896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114769  Sterimol/B1: 2.62367  Sterimol/B2: 3.10114  Sterimol/B3: 4.93071
  Sterimol/B4: 10.1846  Sterimol/L: 15.992 
 
 Surface and Volume Properties
  Accessible surface: 625.264  Positive charged surface: 341.267  Negative charged surface: 276.169  Volume: 356.375
  Hydrophobic surface: 510.881  Hydrophilic surface: 114.383
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.