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PUBCHEM-ZINC05167307

 MMsINC code: MMs03219540
Type: Ionized
Formula: C7H8Cl2F2NO3S-
SMILES:   ClC(Cl)C(SCC(NC(=O)C)C(=O)[O-])(F)F
InChI:   InChI=1/C7H9Cl2F2NO3S/c1-3(13)12-4(5(14)15)2-16-7(10,11)6(8)9/h4,6H,2H2,1H3,(H,12,13)(H,14,15)/p-1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=36.551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.113 g/mol  logS: -3.18923  SlogP: 1.2105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1063  Sterimol/B1: 2.52315  Sterimol/B2: 2.86968  Sterimol/B3: 4.0472
  Sterimol/B4: 7.39748  Sterimol/L: 12.9787 
 
 Surface and Volume Properties
  Accessible surface: 451.115  Positive charged surface: 149.75  Negative charged surface: 301.365  Volume: 209.375
  Hydrophobic surface: 139.569  Hydrophilic surface: 311.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs03219539
PUBCHEM-ZINC05167307