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NCID-ZINC01665836

 MMsINC code: MMs02301984
Type: Neutral
Formula: C20H27O3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)CC(CC(C)(C)C)C
InChI:   InChI=1/C20H27O3P/c1-17(15-20(2,3)4)16-24(21,22-18-11-7-5-8-12-18)23-19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=105.399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.407 g/mol  logS: -5.80717  SlogP: 5.3396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133278  Sterimol/B1: 2.08905  Sterimol/B2: 5.35698  Sterimol/B3: 6.13197
  Sterimol/B4: 6.66488  Sterimol/L: 14.2719 
 
 Surface and Volume Properties
  Accessible surface: 615.568  Positive charged surface: 379.95  Negative charged surface: 235.619  Volume: 352.375
  Hydrophobic surface: 536.916  Hydrophilic surface: 78.652
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.