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ENAMINE-ZINC02976937

 MMsINC code: MMs01288814
Type: Neutral
Formula: C9H7ClF4O3S
SMILES:   Clc1ccc(S(OCC(F)(F)C(F)F)(=O)=O)cc1
InChI:   InChI=1/C9H7ClF4O3S/c10-6-1-3-7(4-2-6)18(15,16)17-5-9(13,14)8(11)12/h1-4,8H,5H2

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Potential Energy
Epot(MMFF94)=51.5347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.663 g/mol  logS: -3.74587  SlogP: 3.7855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226725  Sterimol/B1: 2.49464  Sterimol/B2: 4.15025  Sterimol/B3: 4.31732
  Sterimol/B4: 5.08463  Sterimol/L: 12.3297 
 
 Surface and Volume Properties
  Accessible surface: 433.202  Positive charged surface: 120.182  Negative charged surface: 313.02  Volume: 209.25
  Hydrophobic surface: 229.532  Hydrophilic surface: 203.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.