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PUBCHEM-ZINC01221154

 MMsINC code: MMs02790198
Type: Neutral
Formula: C10H5ClFNO2S
SMILES:   Clc1cccc(F)c1\C=C/1\SC(=O)NC\1=O
InChI:   InChI=1/C10H5ClFNO2S/c11-6-2-1-3-7(12)5(6)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-4+

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Potential Energy
Epot(MMFF94)=55.5943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.672 g/mol  logS: -4.11993  SlogP: 2.803  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0661587  Sterimol/B1: 2.45195  Sterimol/B2: 3.18893  Sterimol/B3: 3.74127
  Sterimol/B4: 4.80295  Sterimol/L: 12.6133 
 
 Surface and Volume Properties
  Accessible surface: 392.077  Positive charged surface: 152.299  Negative charged surface: 239.778  Volume: 194.625
  Hydrophobic surface: 237.867  Hydrophilic surface: 154.21
 
 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.