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NCID-ZINC05699210

 MMsINC code: MMs02486151
Type: Ionized
Formula: C38H26O2-2
SMILES:   [O-]c1ccc(cc1)C1(c2c(cccc2)C(c2c1cccc2)(c1ccccc1)c1ccccc1)c1
ccc([O-])cc1
InChI:   InChI=1/C38H28O2/c39-31-23-19-29(20-24-31)38(30-21-25-32(40)26-22-30)35-17-9-7-15-33(35)37(27-11-3-1-4-12-27,28-13-5-2-6-14-28)34-16-8-10-18-36(34)38/h1-26,39-40H/p-2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=187.904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 514.624 g/mol  logS: -10.339  SlogP: 9.053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.404947  Sterimol/B1: 3.54907  Sterimol/B2: 5.88104  Sterimol/B3: 6.31748
  Sterimol/B4: 9.96866  Sterimol/L: 16.2035 
 
 Surface and Volume Properties
  Accessible surface: 731.956  Positive charged surface: 385.384  Negative charged surface: 346.572  Volume: 521.5
  Hydrophobic surface: 655.341  Hydrophilic surface: 76.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Parent related molecule:


MMs02486150
NCID-ZINC05699210