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PUBCHEM-ZINC03653050

 MMsINC code: MMs03034709
Type: Neutral
Formula: C24H17NO4
SMILES:   Oc1c2c3c(cc1)c(N(C(=O)C)C(=O)C)cc1c3c(c3cc(O)ccc3c1)cc2
InChI:   InChI=1/C24H17NO4/c1-12(26)25(13(2)27)21-10-15-9-14-3-4-16(28)11-20(14)17-5-6-19-22(29)8-7-18(21)24(19)23(15)17/h3-11,28-29H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.403 g/mol  logS: -8.12213  SlogP: 5.0478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124774  Sterimol/B1: 2.16884  Sterimol/B2: 3.72012  Sterimol/B3: 7.09254
  Sterimol/B4: 7.65747  Sterimol/L: 15.2664 
 
 Surface and Volume Properties
  Accessible surface: 579.726  Positive charged surface: 305.042  Negative charged surface: 245.337  Volume: 351.875
  Hydrophobic surface: 416.037  Hydrophilic surface: 163.689
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.