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PUBCHEM-ZINC05821072

 MMsINC code: MMs03400096
Type: Neutral
Formula: C10H23O3PS2
SMILES:   S(=O)(CCCCC)CCOP(=S)(OCC)C
InChI:   InChI=1/C10H23O3PS2/c1-4-6-7-9-16(11)10-8-13-14(3,15)12-5-2/h4-10H2,1-3H3/t14-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=11.8452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.397 g/mol  logS: -3.01194  SlogP: 2.9177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258382  Sterimol/B1: 3.13501  Sterimol/B2: 3.41829  Sterimol/B3: 4.61082
  Sterimol/B4: 4.92725  Sterimol/L: 19.8487 
 
 Surface and Volume Properties
  Accessible surface: 574.2  Positive charged surface: 399.363  Negative charged surface: 174.837  Volume: 273.625
  Hydrophobic surface: 410.574  Hydrophilic surface: 163.626
 
 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.