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NCID-ZINC01736745

 MMsINC code: MMs02358056
Type: Neutral
Formula: C28H26O2
SMILES:   OC(CCC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H26O2/c29-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,29-30H,21-22H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.79 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.514 g/mol  logS: -6.6606  SlogP: 6.2618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.286209  Sterimol/B1: 2.52241  Sterimol/B2: 3.18968  Sterimol/B3: 6.85207
  Sterimol/B4: 9.18081  Sterimol/L: 15.9308 
 
 Surface and Volume Properties
  Accessible surface: 650.954  Positive charged surface: 376.319  Negative charged surface: 274.636  Volume: 410.25
  Hydrophobic surface: 599.584  Hydrophilic surface: 51.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.