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NCID-ZINC05813196

 MMsINC code: MMs02502009
Type: Neutral
Formula: C30H26O3
SMILES:   OC1(C(C(C2C1(O)c1c(cccc1)C2O)c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C30H26O3/c31-28-23-18-10-11-19-24(23)30(33)27(28)25(20-12-4-1-5-13-20)26(21-14-6-2-7-15-21)29(30,32)22-16-8-3-9-17-22/h1-19,25-28,31-33H/t25-,26-,27+,28-,29-,30-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=236.054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.535 g/mol  logS: -6.27415  SlogP: 5.7249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.543131  Sterimol/B1: 2.118  Sterimol/B2: 3.39333  Sterimol/B3: 8.17273
  Sterimol/B4: 10.2846  Sterimol/L: 14.1279 
 
 Surface and Volume Properties
  Accessible surface: 648.572  Positive charged surface: 360.495  Negative charged surface: 288.077  Volume: 423.25
  Hydrophobic surface: 587.024  Hydrophilic surface: 61.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.