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PUBCHEM-ZINC01841022

 MMsINC code: MMs02821573
Type: Neutral
Formula: C11H18O4P2S4
SMILES:   S(P(=S)(OC)OC)c1ccc(cc1)CSP(=S)(OC)OC
InChI:   InChI=1/C11H18O4P2S4/c1-12-16(18,13-2)20-9-10-5-7-11(8-6-10)21-17(19,14-3)15-4/h5-8H,9H2,1-4H3

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Potential Energy
Epot(MMFF94)=70.0724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.473 g/mol  logS: -6.1438  SlogP: 5.3129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141089  Sterimol/B1: 2.29436  Sterimol/B2: 3.43271  Sterimol/B3: 6.22746
  Sterimol/B4: 6.39157  Sterimol/L: 16.219 
 
 Surface and Volume Properties
  Accessible surface: 588.128  Positive charged surface: 363.571  Negative charged surface: 224.557  Volume: 332.5
  Hydrophobic surface: 384.195  Hydrophilic surface: 203.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.