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PUBCHEM-ZINC06193107

 MMsINC code: MMs03593166
Type: Neutral
Formula: C26H21NO4
SMILES:   O1C2C=CC13C(C2C(OCc1ccccc1)=O)C(=O)N(C3)c1c2c(ccc1)cccc2
InChI:   InChI=1/C26H21NO4/c28-24-23-22(25(29)30-15-17-7-2-1-3-8-17)21-13-14-26(23,31-21)16-27(24)20-12-6-10-18-9-4-5-11-19(18)20/h1-14,21-23H,15-16H2/t21-,22-,23-,26-/m1/s1

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Potential Energy
Epot(MMFF94)=147.576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.457 g/mol  logS: -6.14287  SlogP: 4.136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0530073  Sterimol/B1: 3.49901  Sterimol/B2: 4.50432  Sterimol/B3: 4.97679
  Sterimol/B4: 5.68289  Sterimol/L: 20.0882 
 
 Surface and Volume Properties
  Accessible surface: 678.069  Positive charged surface: 371.703  Negative charged surface: 297.267  Volume: 389.125
  Hydrophobic surface: 555.403  Hydrophilic surface: 122.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.