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VITASM-ZINC00255673

 MMsINC code: MMs03950916
Type: Neutral
Formula: C14H11ClF3NO2S
SMILES:   Clc1ccc(cc1NS(=O)(=O)Cc1ccccc1)C(F)(F)F
InChI:   InChI=1/C14H11ClF3NO2S/c15-12-7-6-11(14(16,17)18)8-13(12)19-22(20,21)9-10-4-2-1-3-5-10/h1-8,19H,9H2

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Potential Energy
Epot(MMFF94)=69.5848 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: 0.0757967  Sterimol/B1: 2.8211  Sterimol/B2: 3.56913  Sterimol/B3: 4.07517
  Sterimol/B4: 6.50864  Sterimol/L: 13.7141 
 
 Surface and Volume Properties
  Accessible surface: 510.716  Positive charged surface: 184.717  Negative charged surface: 325.998  Volume: 270.125
  Hydrophobic surface: 344.995  Hydrophilic surface: 165.721
 
 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.