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PUBCHEM-ZINC05131719

 MMsINC code: MMs03206590
Type: Neutral
Formula: C5H7Cl2F2NO2S
SMILES:   ClC(Cl)C(SCC(N)C(O)=O)(F)F
InChI:   InChI=1/C5H7Cl2F2NO2S/c6-4(7)5(8,9)13-1-2(10)3(11)12/h2,4H,1,10H2,(H,11,12)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=44.4238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.084 g/mol  logS: -2.44021  SlogP: 2.3678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0928032  Sterimol/B1: 2.9552  Sterimol/B2: 3.0562  Sterimol/B3: 4.092
  Sterimol/B4: 4.11509  Sterimol/L: 12.5586 
 
 Surface and Volume Properties
  Accessible surface: 393.99  Positive charged surface: 143.901  Negative charged surface: 250.089  Volume: 177.375
  Hydrophobic surface: 59.9604  Hydrophilic surface: 334.0296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.