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CHEMSTAR-ZINC03099508

 MMsINC code: MMs01083225
Type: Neutral
Formula: C21H21O3P
SMILES:   P(COc1ccccc1)(COc1ccccc1)COc1ccccc1
InChI:   InChI=1/C21H21O3P/c1-4-10-19(11-5-1)22-16-25(17-23-20-12-6-2-7-13-20)18-24-21-14-8-3-9-15-21/h1-15H,16-18H2

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Potential Energy
Epot(MMFF94)=103.968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.37 g/mol  logS: -3.9024  SlogP: 5.5778  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.209071  Sterimol/B1: 3.46647  Sterimol/B2: 5.30759  Sterimol/B3: 5.79026
  Sterimol/B4: 6.96352  Sterimol/L: 14.9233 
 
 Surface and Volume Properties
  Accessible surface: 640.213  Positive charged surface: 373.376  Negative charged surface: 266.836  Volume: 351.25
  Hydrophobic surface: 599.262  Hydrophilic surface: 40.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.