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OAKWOOD-ZINC04255337

 MMsINC code: MMs02550263
Type: Neutral
Formula: C7H3ClF2OS
SMILES:   ClC(Sc1ccc(F)cc1F)=O
InChI:   InChI=1/C7H3ClF2OS/c8-7(11)12-6-2-1-4(9)3-5(6)10/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.2306 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: 0.0733211  Sterimol/B1: 2.67767  Sterimol/B2: 3.06111  Sterimol/B3: 3.33772
  Sterimol/B4: 4.86142  Sterimol/L: 11.6623 
 
 Surface and Volume Properties
  Accessible surface: 344.009  Positive charged surface: 93.16  Negative charged surface: 250.849  Volume: 151.75
  Hydrophobic surface: 197.463  Hydrophilic surface: 146.546
 
 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.