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PUBCHEM-ZINC02023177

 MMsINC code: MMs02857162
Type: Neutral
Formula: C23H16O2
SMILES:   OC(=O)\C(=C/c1cc2c(cc1)cccc2)\c1c2c(ccc1)cccc2
InChI:   InChI=1/C23H16O2/c24-23(25)22(21-11-5-9-18-7-3-4-10-20(18)21)15-16-12-13-17-6-1-2-8-19(17)14-16/h1-15H,(H,24,25)/b22-15-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.379 g/mol  logS: -7.39335  SlogP: 5.6182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0847147  Sterimol/B1: 3.91313  Sterimol/B2: 4.15008  Sterimol/B3: 4.62384
  Sterimol/B4: 4.81971  Sterimol/L: 16.964 
 
 Surface and Volume Properties
  Accessible surface: 568.687  Positive charged surface: 304.215  Negative charged surface: 246.81  Volume: 321.375
  Hydrophobic surface: 507.844  Hydrophilic surface: 60.843
 
 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: 1
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Ions/Tautomers related molecules


MMs02857163
PUBCHEM-ZINC02023177