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PUBCHEM-ZINC05837108

 MMsINC code: MMs03408589
Type: Neutral
Formula: C11H17O3PS
SMILES:   S(P(Oc1ccccc1)(OCC)=O)CCC
InChI:   InChI=1/C11H17O3PS/c1-3-10-16-15(12,13-4-2)14-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=14.7892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.294 g/mol  logS: -3.27345  SlogP: 3.283  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0578581  Sterimol/B1: 2.42784  Sterimol/B2: 2.4428  Sterimol/B3: 4.39261
  Sterimol/B4: 7.17886  Sterimol/L: 13.3335 
 
 Surface and Volume Properties
  Accessible surface: 476.057  Positive charged surface: 282.121  Negative charged surface: 193.936  Volume: 245.75
  Hydrophobic surface: 358.388  Hydrophilic surface: 117.669
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.