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PUBCHEM-ZINC05935103

 MMsINC code: MMs03452586
Type: Neutral
Formula: C22H16O2
SMILES:   OC1C=Cc2c(cc3c(c4c(c5c3cccc5)cccc4)c2)C1O
InChI:   InChI=1/C22H16O2/c23-21-10-9-13-11-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20(19)12-18(13)22(21)24/h1-12,21-24H/t21-,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.368 g/mol  logS: -7.21522  SlogP: 4.6628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362906  Sterimol/B1: 3.34406  Sterimol/B2: 3.47637  Sterimol/B3: 3.678
  Sterimol/B4: 8.78582  Sterimol/L: 13.6435 
 
 Surface and Volume Properties
  Accessible surface: 531.405  Positive charged surface: 273.62  Negative charged surface: 224.572  Volume: 303.125
  Hydrophobic surface: 426.753  Hydrophilic surface: 104.652
 
 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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.