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CHEMBLOCK-ZINC01446082

 MMsINC code: MMs00528237
Type: Neutral
Formula: C13H11ClFNO2S
SMILES:   Clc1ccccc1CS(=O)(=O)Nc1ccccc1F
InChI:   InChI=1/C13H11ClFNO2S/c14-11-6-2-1-5-10(11)9-19(17,18)16-13-8-4-3-7-12(13)15/h1-8,16H,9H2

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Potential Energy
Epot(MMFF94)=54.0313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.753 g/mol  logS: -4.02003  SlogP: 3.6874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729817  Sterimol/B1: 2.58822  Sterimol/B2: 3.41264  Sterimol/B3: 4.31819
  Sterimol/B4: 5.03447  Sterimol/L: 13.8575 
 
 Surface and Volume Properties
  Accessible surface: 466.127  Positive charged surface: 210.61  Negative charged surface: 255.517  Volume: 244.75
  Hydrophobic surface: 393.716  Hydrophilic surface: 72.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.