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OAKWOOD-ZINC04255341

 MMsINC code: MMs02550265
Type: Neutral
Formula: C7H3ClF2OS
SMILES:   ClC(Sc1c(F)cccc1F)=O
InChI:   InChI=1/C7H3ClF2OS/c8-7(11)12-6-4(9)2-1-3-5(6)10/h1-3H

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Potential Energy
Epot(MMFF94)=21.2792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.615 g/mol  logS: -4.20479  SlogP: 3.4157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790523  Sterimol/B1: 2.90365  Sterimol/B2: 3.56931  Sterimol/B3: 3.869
  Sterimol/B4: 3.87182  Sterimol/L: 11.4044 
 
 Surface and Volume Properties
  Accessible surface: 344.946  Positive charged surface: 92.8898  Negative charged surface: 252.056  Volume: 150.875
  Hydrophobic surface: 200.657  Hydrophilic surface: 144.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.