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PUBCHEM-ZINC05516691

 MMsINC code: MMs03295107
Type: Neutral
Formula: C6H11Cl3N2S
SMILES:   ClC(Cl)(Cl)CCCCSC(N)=N
InChI:   InChI=1/C6H11Cl3N2S/c7-6(8,9)3-1-2-4-12-5(10)11/h1-4H2,(H3,10,11)

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Potential Energy
Epot(MMFF94)=-11.6831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.593 g/mol  logS: -4.13077  SlogP: 3.57347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0432901  Sterimol/B1: 3.26968  Sterimol/B2: 3.51592  Sterimol/B3: 3.51625
  Sterimol/B4: 3.52661  Sterimol/L: 14.6507 
 
 Surface and Volume Properties
  Accessible surface: 432.462  Positive charged surface: 187.724  Negative charged surface: 244.738  Volume: 201.25
  Hydrophobic surface: 105.372  Hydrophilic surface: 327.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.