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ENAMINE-ZINC03422239

 MMsINC code: MMs01432565
Type: Neutral
Formula: C11H10ClFN2OS
SMILES:   Clc1cccc(F)c1CC(=O)NC=1SCCN=1
InChI:   InChI=1/C11H10ClFN2OS/c12-8-2-1-3-9(13)7(8)6-10(16)15-11-14-4-5-17-11/h1-3H,4-6H2,(H,14,15,16)

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Potential Energy
Epot(MMFF94)=34.2392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.731 g/mol  logS: -4.30051  SlogP: 2.24057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0978732  Sterimol/B1: 2.44928  Sterimol/B2: 3.98521  Sterimol/B3: 4.60011
  Sterimol/B4: 4.72335  Sterimol/L: 13.8011 
 
 Surface and Volume Properties
  Accessible surface: 456.057  Positive charged surface: 249.036  Negative charged surface: 207.021  Volume: 225.875
  Hydrophobic surface: 355.372  Hydrophilic surface: 100.685
 
 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.