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PUBCHEM-ZINC03122158

 MMsINC code: MMs02996747
Type: Neutral
Formula: C24H16O2
SMILES:   OC=1c2c(cccc2)C(=O)C=1Cc1c2c(cc3c1cccc3)cccc2
InChI:   InChI=1/C24H16O2/c25-23-19-11-5-6-12-20(19)24(26)22(23)14-21-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)21/h1-13,25H,14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.39 g/mol  logS: -7.58681  SlogP: 5.70107  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.132342  Sterimol/B1: 2.47416  Sterimol/B2: 2.88225  Sterimol/B3: 4.42226
  Sterimol/B4: 9.61911  Sterimol/L: 13.4535 
 
 Surface and Volume Properties
  Accessible surface: 555.455  Positive charged surface: 296.627  Negative charged surface: 239.517  Volume: 329
  Hydrophobic surface: 505.773  Hydrophilic surface: 49.682
 
 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


MMs02996748
PUBCHEM-ZINC03122158