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VITASM-ZINC04742087

 MMsINC code: MMs03964142
Type: Neutral
Formula: C14H11ClF3NO2S
SMILES:   Clc1ccccc1CS(=O)(=O)Nc1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H11ClF3NO2S/c15-13-7-2-1-4-10(13)9-22(20,21)19-12-6-3-5-11(8-12)14(16,17)18/h1-8,19H,9H2

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Potential Energy
Epot(MMFF94)=62.1462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.76 g/mol  logS: -4.7816  SlogP: 4.8786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0995841  Sterimol/B1: 2.9233  Sterimol/B2: 3.4229  Sterimol/B3: 4.47619
  Sterimol/B4: 5.14576  Sterimol/L: 14.9652 
 
 Surface and Volume Properties
  Accessible surface: 505.855  Positive charged surface: 195.793  Negative charged surface: 310.061  Volume: 270.5
  Hydrophobic surface: 329.263  Hydrophilic surface: 176.592
 
 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.