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ENAMINE-ZINC01738558

 MMsINC code: MMs01243749
Type: Neutral
Formula: C13H8Cl2F3NO2S
SMILES:   Clc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F
InChI:   InChI=1/C13H8Cl2F3NO2S/c14-9-2-4-10(5-3-9)22(20,21)19-12-7-8(13(16,17)18)1-6-11(12)15/h1-7,19H

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Potential Energy
Epot(MMFF94)=58.1404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.178 g/mol  logS: -5.57185  SlogP: 5.1245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.262849  Sterimol/B1: 4.3563  Sterimol/B2: 4.40152  Sterimol/B3: 4.5534
  Sterimol/B4: 5.40573  Sterimol/L: 12.0165 
 
 Surface and Volume Properties
  Accessible surface: 501.768  Positive charged surface: 131.483  Negative charged surface: 370.285  Volume: 268.75
  Hydrophobic surface: 329.289  Hydrophilic surface: 172.479
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.