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ASINEX-ZINC04718802

 MMsINC code: MMs00364681
Type: Neutral
Formula: C28H18O2
SMILES:   Oc1c2c(c3c(c1)cccc3)c(ccc2)-c1c2c(ccc1)c(O)cc1c2cccc1
InChI:   InChI=1/C28H18O2/c29-25-15-17-7-1-3-9-19(17)27-21(11-5-13-23(25)27)22-12-6-14-24-26(30)16-18-8-2-4-10-20(18)28(22)24/h1-16,29-30H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=237.359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.45 g/mol  logS: -10.5989  SlogP: 7.3776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.384821  Sterimol/B1: 2.18805  Sterimol/B2: 2.28924  Sterimol/B3: 6.75841
  Sterimol/B4: 8.97749  Sterimol/L: 14.131 
 
 Surface and Volume Properties
  Accessible surface: 582.532  Positive charged surface: 321.607  Negative charged surface: 238.283  Volume: 371.25
  Hydrophobic surface: 492.906  Hydrophilic surface: 89.626
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.