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PUBCHEM-ZINC06118070

 MMsINC code: MMs03547111
Type: Neutral
Formula: C24H16O2
SMILES:   OC1C=Cc2c(c3-c4c(-c5c3c(c3c(c5)cccc3)c2)cccc4)C1O
InChI:   InChI=1/C24H16O2/c25-20-10-9-14-12-18-15-6-2-1-5-13(15)11-19-16-7-3-4-8-17(16)23(22(18)19)21(14)24(20)26/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)=130.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.39 g/mol  logS: -8.5446  SlogP: 5.157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394869  Sterimol/B1: 3.48716  Sterimol/B2: 3.64701  Sterimol/B3: 4.88935
  Sterimol/B4: 7.95137  Sterimol/L: 14.2455 
 
 Surface and Volume Properties
  Accessible surface: 553.797  Positive charged surface: 281.145  Negative charged surface: 228.713  Volume: 321.5
  Hydrophobic surface: 454.775  Hydrophilic surface: 99.022
 
 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.