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ACROSORGANICS-ZINC04262447

 MMsINC code: MMs00017528
Type: Neutral
Formula: C30H28O4
SMILES:   O(CC)c1c2Cc3cccc(Cc4cccc(Cc5cccc(Cc1ccc2)c5O)c4O)c3O
InChI:   InChI=1/C30H28O4/c1-2-34-30-25-13-6-14-26(30)18-24-12-5-10-22(29(24)33)16-20-8-3-7-19(27(20)31)15-21-9-4-11-23(17-25)28(21)32/h3-14,31-33H,2,15-18H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=258.023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.55 g/mol  logS: -6.24284  SlogP: 5.87858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.310769  Sterimol/B1: 2.39594  Sterimol/B2: 4.40585  Sterimol/B3: 6.79224
  Sterimol/B4: 8.54391  Sterimol/L: 12.9969 
 
 Surface and Volume Properties
  Accessible surface: 592.166  Positive charged surface: 409.156  Negative charged surface: 183.01  Volume: 435.875
  Hydrophobic surface: 528.65  Hydrophilic surface: 63.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: no related molecules available.