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PUBCHEM-ZINC05158933

 MMsINC code: MMs03214957
Type: Neutral
Formula: C25H32O4
SMILES:   Oc1c(CC=C(C)C)c(CC=C(C)C)c(cc1O)CCCc1ccc(O)cc1O
InChI:   InChI=1/C25H32O4/c1-16(2)8-12-21-19(7-5-6-18-10-11-20(26)15-23(18)27)14-24(28)25(29)22(21)13-9-17(3)4/h8-11,14-15,26-29H,5-7,12-13H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.527 g/mol  logS: -6.58152  SlogP: 5.70158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115622  Sterimol/B1: 2.95802  Sterimol/B2: 3.66544  Sterimol/B3: 5.00991
  Sterimol/B4: 9.34973  Sterimol/L: 18.3785 
 
 Surface and Volume Properties
  Accessible surface: 703.922  Positive charged surface: 466.493  Negative charged surface: 237.429  Volume: 413.625
  Hydrophobic surface: 520.125  Hydrophilic surface: 183.797
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.