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NCID-ZINC05882350

 MMsINC code: MMs02508901
Type: Neutral
Formula: C26H26O4
SMILES:   O1C2C(OCc3c2cccc3)C(OCc2ccccc2)C1COCc1ccccc1
InChI:   InChI=1/C26H26O4/c1-3-9-19(10-4-1)15-27-18-23-25(28-16-20-11-5-2-6-12-20)26-24(30-23)22-14-8-7-13-21(22)17-29-26/h1-14,23-26H,15-18H2/t23-,24-,25+,26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.49 g/mol  logS: -5.73604  SlogP: 5.7222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112176  Sterimol/B1: 3.55058  Sterimol/B2: 4.50365  Sterimol/B3: 7.19076
  Sterimol/B4: 8.32638  Sterimol/L: 16.1082 
 
 Surface and Volume Properties
  Accessible surface: 725.208  Positive charged surface: 459.571  Negative charged surface: 265.637  Volume: 402.5
  Hydrophobic surface: 687.065  Hydrophilic surface: 38.143
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.