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PUBCHEM-ZINC03870980

 MMsINC code: MMs03080088
Type: Neutral
Formula: C10H15O5PS
SMILES:   S(=O)(CCCCP(O)(O)=O)c1ccccc1O
InChI:   InChI=1/C10H15O5PS/c11-9-5-1-2-6-10(9)17(15)8-4-3-7-16(12,13)14/h1-2,5-6,11H,3-4,7-8H2,(H2,12,13,14)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=-8.01349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.265 g/mol  logS: -1.04712  SlogP: 0.3875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0635409  Sterimol/B1: 2.58062  Sterimol/B2: 3.75367  Sterimol/B3: 3.99882
  Sterimol/B4: 4.62434  Sterimol/L: 16.128 
 
 Surface and Volume Properties
  Accessible surface: 491.976  Positive charged surface: 289.209  Negative charged surface: 202.767  Volume: 234.375
  Hydrophobic surface: 274.796  Hydrophilic surface: 217.18
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.