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PUBCHEM-ZINC06117928

 MMsINC code: MMs03546970
Type: Neutral
Formula: C24H16O2
SMILES:   OC1C=Cc2c(cc3c4c2c2c(c5c4c(cc3)ccc5)cccc2)C1O
InChI:   InChI=1/C24H16O2/c25-20-11-10-18-19(24(20)26)12-14-9-8-13-4-3-7-16-15-5-1-2-6-17(15)23(18)22(14)21(13)16/h1-12,20,24-26H/t20-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.39 g/mol  logS: -8.5446  SlogP: 5.2538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0284312  Sterimol/B1: 2.43016  Sterimol/B2: 2.96921  Sterimol/B3: 3.2864
  Sterimol/B4: 9.79075  Sterimol/L: 14.2177 
 
 Surface and Volume Properties
  Accessible surface: 538.13  Positive charged surface: 286.217  Negative charged surface: 207.541  Volume: 319.75
  Hydrophobic surface: 439.447  Hydrophilic surface: 98.683
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.