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PUBCHEM-ZINC05352396

 MMsINC code: MMs03245842
Type: Neutral
Formula: C10H23O2PS2
SMILES:   SP(=S)(OCC(C)(C)C)OCC(C)(C)C
InChI:   InChI=1/C10H23O2PS2/c1-9(2,3)7-11-13(14,15)12-8-10(4,5)6/h7-8H2,1-6H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=23.6693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.398 g/mol  logS: -3.83008  SlogP: 4.2661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107327  Sterimol/B1: 2.13218  Sterimol/B2: 3.90567  Sterimol/B3: 4.6665
  Sterimol/B4: 6.92871  Sterimol/L: 14.5128 
 
 Surface and Volume Properties
  Accessible surface: 518.161  Positive charged surface: 314.194  Negative charged surface: 203.968  Volume: 263.375
  Hydrophobic surface: 313.903  Hydrophilic surface: 204.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.