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CHEMBRIDGE-ZINC04702234

 MMsINC code: MMs00778519
Type: Tautomer
Formula: C24H20O3
SMILES:   O1c2c(cc(cc2)C)C(c2c1cccc2)C(C(=O)c1ccccc1)C(=O)C
InChI:   InChI=1/C24H20O3/c1-15-12-13-21-19(14-15)23(18-10-6-7-11-20(18)27-21)22(16(2)25)24(26)17-8-4-3-5-9-17/h3-14,22-23H,1-2H3/t22-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.421 g/mol  logS: -6.27968  SlogP: 5.32072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.434894  Sterimol/B1: 2.35216  Sterimol/B2: 3.45445  Sterimol/B3: 6.1685
  Sterimol/B4: 8.8351  Sterimol/L: 13.3303 
 
 Surface and Volume Properties
  Accessible surface: 593.13  Positive charged surface: 333.479  Negative charged surface: 259.65  Volume: 349.625
  Hydrophobic surface: 565.094  Hydrophilic surface: 28.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
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Parent related molecule:


MMs00778516
CHEMBRIDGE-ZINC04702234