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ACROSORGANICS-ZINC01708918

 MMsINC code: MMs00011524
Type: Neutral
Formula: C27H30O6
SMILES:   O(C)c1cc2Cc3cc(OC)c(OC)cc3Cc3cc(OC)c(OC)cc3Cc2cc1OC
InChI:   InChI=1/C27H30O6/c1-28-22-10-16-7-18-12-24(30-3)26(32-5)14-20(18)9-21-15-27(33-6)25(31-4)13-19(21)8-17(16)11-23(22)29-2/h10-15H,7-9H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=218.479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.531 g/mol  logS: -6.3908  SlogP: 4.82391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206163  Sterimol/B1: 2.15416  Sterimol/B2: 2.36303  Sterimol/B3: 5.45064
  Sterimol/B4: 11.3245  Sterimol/L: 15.1911 
 
 Surface and Volume Properties
  Accessible surface: 683.285  Positive charged surface: 576.394  Negative charged surface: 106.891  Volume: 433.125
  Hydrophobic surface: 628.826  Hydrophilic surface: 54.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.