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PUBCHEM-ZINC05998537

 MMsINC code: MMs03482557
Type: Neutral
Formula: C14H13O3PS
SMILES:   S=P(Oc1ccc(cc1)C=O)(OC)c1ccccc1
InChI:   InChI=1/C14H13O3PS/c1-16-18(19,14-5-3-2-4-6-14)17-13-9-7-12(11-15)8-10-13/h2-11H,1H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=78.3501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.295 g/mol  logS: -4.39671  SlogP: 3.1593  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123117  Sterimol/B1: 2.22985  Sterimol/B2: 3.32428  Sterimol/B3: 3.97646
  Sterimol/B4: 7.69686  Sterimol/L: 12.7606 
 
 Surface and Volume Properties
  Accessible surface: 488.46  Positive charged surface: 278.832  Negative charged surface: 209.628  Volume: 263.125
  Hydrophobic surface: 363.701  Hydrophilic surface: 124.759
 
 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.