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CHEMBLOCK-ZINC04523767

 MMsINC code: MMs00554872
Type: Neutral
Formula: C24H22O2
SMILES:   OC(C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#CC(O)(C)C)(C)C
InChI:   InChI=1/C24H22O2/c1-23(2,25)17-15-21-11-7-19(8-12-21)5-6-20-9-13-22(14-10-20)16-18-24(3,4)26/h7-14,25-26H,1-4H3

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Potential Energy
Epot(MMFF94)=49.662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.438 g/mol  logS: -6.76194  SlogP: 3.33122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0109038  Sterimol/B1: 2.40587  Sterimol/B2: 2.94337  Sterimol/B3: 3.62662
  Sterimol/B4: 4.99873  Sterimol/L: 23.935 
 
 Surface and Volume Properties
  Accessible surface: 730.565  Positive charged surface: 421.859  Negative charged surface: 308.706  Volume: 370.75
  Hydrophobic surface: 559.197  Hydrophilic surface: 171.368
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.