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NCID-ZINC01859077

 MMsINC code: MMs02372942
Type: Neutral
Formula: C10H15O2PS2
SMILES:   S(CCP(=S)(O)c1ccc(OC)cc1)C
InChI:   InChI=1/C10H15O2PS2/c1-12-9-3-5-10(6-4-9)13(11,14)7-8-15-2/h3-6H,7-8H2,1-2H3,(H,11,14)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=47.3715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.334 g/mol  logS: -3.13104  SlogP: 2.0703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473842  Sterimol/B1: 2.27606  Sterimol/B2: 2.77009  Sterimol/B3: 4.02715
  Sterimol/B4: 6.3073  Sterimol/L: 16.1231 
 
 Surface and Volume Properties
  Accessible surface: 482.97  Positive charged surface: 273.92  Negative charged surface: 209.049  Volume: 239.375
  Hydrophobic surface: 340.554  Hydrophilic surface: 142.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.