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PUBCHEM-ZINC02047292

 MMsINC code: MMs02865314
Type: Neutral
Formula: C10H14FO4PS
SMILES:   S(CCCCP(O)(O)=O)c1cc(F)ccc1O
InChI:   InChI=1/C10H14FO4PS/c11-8-3-4-9(12)10(7-8)17-6-2-1-5-16(13,14)15/h3-4,7,12H,1-2,5-6H2,(H2,13,14,15)

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Potential Energy
Epot(MMFF94)=-14.1512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.256 g/mol  logS: -2.07333  SlogP: 1.5111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0295607  Sterimol/B1: 3.08376  Sterimol/B2: 3.3329  Sterimol/B3: 3.41854
  Sterimol/B4: 5.31487  Sterimol/L: 16.3208 
 
 Surface and Volume Properties
  Accessible surface: 492.138  Positive charged surface: 271.728  Negative charged surface: 220.41  Volume: 231.5
  Hydrophobic surface: 277.776  Hydrophilic surface: 214.362
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.