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ENAMINE-ZINC05263812

 MMsINC code: MMs01604915
Type: Neutral
Formula: C19H17ClFN3OS
SMILES:   Clc1cc(F)ccc1NC(=O)C(Sc1ncc(n1C)-c1ccccc1)C
InChI:   InChI=1/C19H17ClFN3OS/c1-12(18(25)23-16-9-8-14(21)10-15(16)20)26-19-22-11-17(24(19)2)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,25)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=90.7212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.882 g/mol  logS: -7.25434  SlogP: 5.3581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328437  Sterimol/B1: 2.384  Sterimol/B2: 2.65702  Sterimol/B3: 5.44581
  Sterimol/B4: 5.89742  Sterimol/L: 20.6542 
 
 Surface and Volume Properties
  Accessible surface: 631.543  Positive charged surface: 332.049  Negative charged surface: 299.494  Volume: 346.75
  Hydrophobic surface: 541.98  Hydrophilic surface: 89.563
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.