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CHEMBRIDGE-ZINC00475507

 MMsINC code: MMs00628965
Type: Neutral
Formula: C12H10ClFN2OS
SMILES:   Clc1cccc(F)c1\C=C\C(=O)NC=1SCCN=1
InChI:   InChI=1/C12H10ClFN2OS/c13-9-2-1-3-10(14)8(9)4-5-11(17)16-12-15-6-7-18-12/h1-5H,6-7H2,(H,15,16,17)/b5-4+

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Potential Energy
Epot(MMFF94)=43.8564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.742 g/mol  logS: -4.74486  SlogP: 2.7113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229606  Sterimol/B1: 2.69201  Sterimol/B2: 3.29692  Sterimol/B3: 3.91779
  Sterimol/B4: 4.33667  Sterimol/L: 15.6274 
 
 Surface and Volume Properties
  Accessible surface: 481.103  Positive charged surface: 258.477  Negative charged surface: 222.626  Volume: 239.875
  Hydrophobic surface: 367.461  Hydrophilic surface: 113.642
 
 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.