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APOLLO-ZINC01086357

 MMsINC code: MMs00049058
Type: Neutral
Formula: C21H21OP
SMILES:   P(=O)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C21H21OP/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2

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Potential Energy
Epot(MMFF94)=76.059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.372 g/mol  logS: -4.40596  SlogP: 5.6791  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.227843  Sterimol/B1: 3.15926  Sterimol/B2: 4.27623  Sterimol/B3: 6.5334
  Sterimol/B4: 6.82792  Sterimol/L: 12.6209 
 
 Surface and Volume Properties
  Accessible surface: 576.261  Positive charged surface: 329.145  Negative charged surface: 247.116  Volume: 332.125
  Hydrophobic surface: 566.047  Hydrophilic surface: 10.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.