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ASINEX-ZINC03067593

 MMsINC code: MMs00285276
Type: Neutral
Formula: C27H22O3
SMILES:   O1c2c(C=CC1(c1ccc(OC)cc1)c1ccc(OC)cc1)c1c(cc2)cccc1
InChI:   InChI=1/C27H22O3/c1-28-22-12-8-20(9-13-22)27(21-10-14-23(29-2)15-11-21)18-17-25-24-6-4-3-5-19(24)7-16-26(25)30-27/h3-18H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.47 g/mol  logS: -7.57792  SlogP: 6.5179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159804  Sterimol/B1: 2.51251  Sterimol/B2: 4.29944  Sterimol/B3: 4.53726
  Sterimol/B4: 9.81522  Sterimol/L: 18.2255 
 
 Surface and Volume Properties
  Accessible surface: 664.278  Positive charged surface: 423.082  Negative charged surface: 229.174  Volume: 390.875
  Hydrophobic surface: 637.112  Hydrophilic surface: 27.166
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.