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ASINEX-ZINC01327616

 MMsINC code: MMs00235866
Type: Neutral
Formula: C19H16F2N2OS
SMILES:   s1c2c(nc1C1CCN(CC1)C(=O)c1ccc(F)cc1F)cccc2
InChI:   InChI=1/C19H16F2N2OS/c20-13-5-6-14(15(21)11-13)19(24)23-9-7-12(8-10-23)18-22-16-3-1-2-4-17(16)25-18/h1-6,11-12H,7-10H2

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Potential Energy
Epot(MMFF94)=60.3613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.412 g/mol  logS: -4.78822  SlogP: 4.5943  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828706  Sterimol/B1: 3.23728  Sterimol/B2: 3.60448  Sterimol/B3: 4.65537
  Sterimol/B4: 5.09287  Sterimol/L: 17.4756 
 
 Surface and Volume Properties
  Accessible surface: 581.186  Positive charged surface: 312.095  Negative charged surface: 269.091  Volume: 315.5
  Hydrophobic surface: 529.576  Hydrophilic surface: 51.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.