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PUBCHEM-ZINC06070668

 MMsINC code: MMs03523511
Type: Neutral
Formula: C19H25O3PS
SMILES:   S(P(Oc1cc(ccc1C)C)(Oc1cc(ccc1C)C)=O)C(C)C
InChI:   InChI=1/C19H25O3PS/c1-13(2)24-23(20,21-18-11-14(3)7-9-16(18)5)22-19-12-15(4)8-10-17(19)6/h7-13H,1-6H3

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Potential Energy
Epot(MMFF94)=63.9758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.446 g/mol  logS: -6.04254  SlogP: 5.55758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181156  Sterimol/B1: 2.84149  Sterimol/B2: 5.61927  Sterimol/B3: 5.88449
  Sterimol/B4: 7.17296  Sterimol/L: 13.7921 
 
 Surface and Volume Properties
  Accessible surface: 604.702  Positive charged surface: 358.211  Negative charged surface: 246.491  Volume: 357.875
  Hydrophobic surface: 524.832  Hydrophilic surface: 79.87
 
 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.