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ACROSORGANICS-ZINC01081486

 MMsINC code: MMs00008619
Type: Neutral
Formula: C7H5ClFN2S+
SMILES:   Clc1cc2[nH]c(S)[nH+]c2cc1F
InChI:   InChI=1/C7H4ClFN2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)/p+1

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Potential Energy
Epot(MMFF94)=2.09061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.648 g/mol  logS: -4.42918  SlogP: 2.0632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0155307  Sterimol/B1: 2.33274  Sterimol/B2: 2.486  Sterimol/B3: 2.56803
  Sterimol/B4: 5.46648  Sterimol/L: 11.9451 
 
 Surface and Volume Properties
  Accessible surface: 352.234  Positive charged surface: 157.025  Negative charged surface: 195.21  Volume: 157.625
  Hydrophobic surface: 213.52  Hydrophilic surface: 138.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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


MMs00008620
ACROSORGANICS-ZINC01081486