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IBS-ZINC04814048

 MMsINC code: MMs01897723
Type: Neutral
Formula: C15H14F3N3O3S
SMILES:   S(=O)(=Nc1ccc(cc1)C(F)(F)F)(N(C)C)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C15H14F3N3O3S/c1-20(2)25(24,14-9-7-13(8-10-14)21(22)23)19-12-5-3-11(4-6-12)15(16,17)18/h3-10H,1-2H3/t25-/m0/s1

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Potential Energy
Epot(MMFF94)=92.0351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.355 g/mol  logS: -4.70986  SlogP: 4.6654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717198  Sterimol/B1: 2.07897  Sterimol/B2: 3.30919  Sterimol/B3: 4.17807
  Sterimol/B4: 7.32664  Sterimol/L: 16.5281 
 
 Surface and Volume Properties
  Accessible surface: 537.396  Positive charged surface: 227.133  Negative charged surface: 310.264  Volume: 297.375
  Hydrophobic surface: 314.644  Hydrophilic surface: 222.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.