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CHEMBRIDGE-ZINC02874736

 MMsINC code: MMs00731413
Type: Neutral
Formula: C24H18N2O5
SMILES:   O=C1N(Cc2ccccc2)C(=O)c2c1cc(cc2)C(=O)Nc1ccc(cc1)CC(O)=O
InChI:   InChI=1/C24H18N2O5/c27-21(28)12-15-6-9-18(10-7-15)25-22(29)17-8-11-19-20(13-17)24(31)26(23(19)30)14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,25,29)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.417 g/mol  logS: -5.70349  SlogP: 3.62857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363205  Sterimol/B1: 2.53725  Sterimol/B2: 3.13138  Sterimol/B3: 5.47624
  Sterimol/B4: 6.42816  Sterimol/L: 21.5011 
 
 Surface and Volume Properties
  Accessible surface: 683.141  Positive charged surface: 380.578  Negative charged surface: 302.563  Volume: 377.25
  Hydrophobic surface: 474.992  Hydrophilic surface: 208.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00731414
CHEMBRIDGE-ZINC02874736