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ENAMINE-ZINC02640364

 MMsINC code: MMs01268690
Type: Neutral
Formula: C10H6ClF2NO2S2
SMILES:   Clc1sc(S(=O)(=O)Nc2cc(F)ccc2F)cc1
InChI:   InChI=1/C10H6ClF2NO2S2/c11-9-3-4-10(17-9)18(15,16)14-8-5-6(12)1-2-7(8)13/h1-5,14H

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Potential Energy
Epot(MMFF94)=40.3477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.744 g/mol  logS: -4.64724  SlogP: 3.4805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247726  Sterimol/B1: 3.82419  Sterimol/B2: 4.13226  Sterimol/B3: 4.47789
  Sterimol/B4: 5.86949  Sterimol/L: 11.0751 
 
 Surface and Volume Properties
  Accessible surface: 444.99  Positive charged surface: 138.234  Negative charged surface: 306.756  Volume: 223.875
  Hydrophobic surface: 363.602  Hydrophilic surface: 81.388
 
 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.