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PUBCHEM-ZINC05854587

 MMsINC code: MMs03418898
Type: Neutral
Formula: C25H26O4
SMILES:   O1c2c(C=CC1(C)C)cc1C3C(Oc1c2)c1c(OC3)c(CC=C(C)C)c(O)cc1
InChI:   InChI=1/C25H26O4/c1-14(2)5-6-16-20(26)8-7-17-23(16)27-13-19-18-11-15-9-10-25(3,4)29-21(15)12-22(18)28-24(17)19/h5,7-12,19,24,26H,6,13H2,1-4H3/t19-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.59 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.479 g/mol  logS: -6.25084  SlogP: 5.79027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444854  Sterimol/B1: 2.49247  Sterimol/B2: 2.66668  Sterimol/B3: 4.53757
  Sterimol/B4: 8.5393  Sterimol/L: 19.0776 
 
 Surface and Volume Properties
  Accessible surface: 662.755  Positive charged surface: 448.732  Negative charged surface: 214.023  Volume: 385.5
  Hydrophobic surface: 546.539  Hydrophilic surface: 116.216
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.