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CHEMDIV-ZINC06802739

 MMsINC code: MMs01029832
Type: Neutral
Formula: C17H15F2N3O2S
SMILES:   S1CC(=O)N(c2c1nc(cc2C)C)CC(=O)Nc1ccc(F)cc1F
InChI:   InChI=1/C17H15F2N3O2S/c1-9-5-10(2)20-17-16(9)22(15(24)8-25-17)7-14(23)21-13-4-3-11(18)6-12(13)19/h3-6H,7-8H2,1-2H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=130.456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.388 g/mol  logS: -4.76459  SlogP: 3.05404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176454  Sterimol/B1: 2.44316  Sterimol/B2: 3.20441  Sterimol/B3: 6.36004
  Sterimol/B4: 7.30629  Sterimol/L: 15.5943 
 
 Surface and Volume Properties
  Accessible surface: 571.664  Positive charged surface: 313.19  Negative charged surface: 258.474  Volume: 308.375
  Hydrophobic surface: 454.123  Hydrophilic surface: 117.541
 
 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.