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CHEMDIV-ZINC06802908

 MMsINC code: MMs01030014
Type: Neutral
Formula: C19H19F2N3O2S
SMILES:   S1CC(=O)N(c2c1nc(cc2C)C)CCCC(=O)Nc1ccc(F)cc1F
InChI:   InChI=1/C19H19F2N3O2S/c1-11-8-12(2)22-19-18(11)24(17(26)10-27-19)7-3-4-16(25)23-15-6-5-13(20)9-14(15)21/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,23,25)

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Potential Energy
Epot(MMFF94)=119.163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.442 g/mol  logS: -4.84828  SlogP: 3.83424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115275  Sterimol/B1: 2.38695  Sterimol/B2: 3.80206  Sterimol/B3: 6.37253
  Sterimol/B4: 7.39811  Sterimol/L: 17.7176 
 
 Surface and Volume Properties
  Accessible surface: 634.402  Positive charged surface: 360.562  Negative charged surface: 273.84  Volume: 342
  Hydrophobic surface: 504.819  Hydrophilic surface: 129.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.