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PUBCHEM-ZINC04947668

 MMsINC code: MMs03185520
Type: Neutral
Formula: C11H13Cl3NO5PS
SMILES:   ClC(Cl)(Cl)C(P1(OCCCO1)=O)NS(=O)(=O)c1ccccc1
InChI:   InChI=1/C11H13Cl3NO5PS/c12-11(13,14)10(21(16)19-7-4-8-20-21)15-22(17,18)9-5-2-1-3-6-9/h1-3,5-6,10,15H,4,7-8H2/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=31.7522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.626 g/mol  logS: -3.8828  SlogP: 2.6409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191711  Sterimol/B1: 2.43042  Sterimol/B2: 3.75847  Sterimol/B3: 4.29198
  Sterimol/B4: 8.10358  Sterimol/L: 12.4731 
 
 Surface and Volume Properties
  Accessible surface: 522.298  Positive charged surface: 240.367  Negative charged surface: 281.931  Volume: 301.625
  Hydrophobic surface: 305.718  Hydrophilic surface: 216.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.