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PUBCHEM-ZINC05862058

 MMsINC code: MMs03422289
Type: Neutral
Formula: C6H13O3PS3
SMILES:   S(CC(O)=O)CSP(=S)(OCC)C
InChI:   InChI=1/C6H13O3PS3/c1-3-9-10(2,11)13-5-12-4-6(7)8/h3-5H2,1-2H3,(H,7,8)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=11.8486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.339 g/mol  logS: -2.73433  SlogP: 2.4707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0933312  Sterimol/B1: 2.63025  Sterimol/B2: 2.88789  Sterimol/B3: 4.50102
  Sterimol/B4: 5.72809  Sterimol/L: 13.9339 
 
 Surface and Volume Properties
  Accessible surface: 451.157  Positive charged surface: 251.752  Negative charged surface: 199.406  Volume: 216.625
  Hydrophobic surface: 190.751  Hydrophilic surface: 260.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03422290
PUBCHEM-ZINC05862058