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CHEMSTAR-ZINC04016103

 MMsINC code: MMs01087255
Type: Neutral
Formula: C25H20O2
SMILES:   Oc1ccc(cc1)C(c1ccc(O)cc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H20O2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22/h1-18,26-27H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=172.811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.433 g/mol  logS: -6.06228  SlogP: 5.4805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.774327  Sterimol/B1: 2.42347  Sterimol/B2: 3.22115  Sterimol/B3: 7.56385
  Sterimol/B4: 9.25682  Sterimol/L: 13.0745 
 
 Surface and Volume Properties
  Accessible surface: 585.987  Positive charged surface: 339.452  Negative charged surface: 246.534  Volume: 350.125
  Hydrophobic surface: 482.592  Hydrophilic surface: 103.395
 
 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


MMs01087256
CHEMSTAR-ZINC04016103