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ENAMINE-ZINC03382666

 MMsINC code: MMs01408005
Type: Neutral
Formula: C15H11ClF2N2O2S
SMILES:   Clc1cc(F)c(F)cc1C(=O)Nc1sc2c(CCC2)c1C(=O)N
InChI:   InChI=1/C15H11ClF2N2O2S/c16-8-5-10(18)9(17)4-7(8)14(22)20-15-12(13(19)21)6-2-1-3-11(6)23-15/h4-5H,1-3H2,(H2,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=90.4553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.78 g/mol  logS: -5.46984  SlogP: 3.51954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0236149  Sterimol/B1: 2.99211  Sterimol/B2: 3.15013  Sterimol/B3: 4.42177
  Sterimol/B4: 6.03386  Sterimol/L: 16.2775 
 
 Surface and Volume Properties
  Accessible surface: 536.887  Positive charged surface: 270.761  Negative charged surface: 266.126  Volume: 282.875
  Hydrophobic surface: 420.285  Hydrophilic surface: 116.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.