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PUBCHEM-ZINC02982196

 MMsINC code: MMs02973728
Type: Neutral
Formula: C26H23NO4
SMILES:   O(C)c1ccccc1C(NC(=O)c1cc(OC)ccc1)c1c2c(ccc1O)cccc2
InChI:   InChI=1/C26H23NO4/c1-30-19-10-7-9-18(16-19)26(29)27-25(21-12-5-6-13-23(21)31-2)24-20-11-4-3-8-17(20)14-15-22(24)28/h3-16,25,28H,1-2H3,(H,27,29)/t25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.473 g/mol  logS: -6.6835  SlogP: 5.1775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166725  Sterimol/B1: 3.49845  Sterimol/B2: 5.03075  Sterimol/B3: 6.10893
  Sterimol/B4: 6.48091  Sterimol/L: 17.1012 
 
 Surface and Volume Properties
  Accessible surface: 666.763  Positive charged surface: 413.011  Negative charged surface: 245.456  Volume: 400.25
  Hydrophobic surface: 604.652  Hydrophilic surface: 62.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.