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PUBCHEM-ZINC05060346

 MMsINC code: MMs03194946
Type: Neutral
Formula: C26H23NO4
SMILES:   O(C)c1cc(ccc1OC)C(NC(=O)c1ccccc1)c1c2c(ccc1O)cccc2
InChI:   InChI=1/C26H23NO4/c1-30-22-15-13-19(16-23(22)31-2)25(27-26(29)18-9-4-3-5-10-18)24-20-11-7-6-8-17(20)12-14-21(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)=139.403 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: 0.246334  Sterimol/B1: 2.1812  Sterimol/B2: 4.39775  Sterimol/B3: 5.68785
  Sterimol/B4: 12.2495  Sterimol/L: 15.6767 
 
 Surface and Volume Properties
  Accessible surface: 691.605  Positive charged surface: 426.64  Negative charged surface: 255.155  Volume: 401.125
  Hydrophobic surface: 626.128  Hydrophilic surface: 65.477
 
 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.