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NCID-ZINC01759321

 MMsINC code: MMs02366439
Type: Neutral
Formula: C32H26O2
SMILES:   OC(c1cc(c(cc1C(O)c1ccccc1)-c1ccccc1)-c1ccccc1)c1ccccc1
InChI:   InChI=1/C32H26O2/c33-31(25-17-9-3-10-18-25)29-21-27(23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)22-30(29)32(34)26-19-11-4-12-20-26/h1-22,31-34H/t31-,32+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.21 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.558 g/mol  logS: -9.31548  SlogP: 7.375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172459  Sterimol/B1: 3.20418  Sterimol/B2: 4.09409  Sterimol/B3: 4.5164
  Sterimol/B4: 9.86195  Sterimol/L: 14.8447 
 
 Surface and Volume Properties
  Accessible surface: 708.07  Positive charged surface: 395.893  Negative charged surface: 305.169  Volume: 451.75
  Hydrophobic surface: 632.339  Hydrophilic surface: 75.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.