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MAYBRIDGE-ZINC01044852

 MMsINC code: MMs02155766
Type: Neutral
Formula: C14H9ClF3NO4S
SMILES:   Clc1ccc(cc1)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F
InChI:   InChI=1/C14H9ClF3NO4S/c15-10-3-1-9(2-4-10)8-24(22,23)13-6-5-11(19(20)21)7-12(13)14(16,17)18/h1-7H,8H2

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Potential Energy
Epot(MMFF94)=100.848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.742 g/mol  logS: -5.87454  SlogP: 4.8188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0398885  Sterimol/B1: 2.2664  Sterimol/B2: 3.81348  Sterimol/B3: 4.3059
  Sterimol/B4: 4.99916  Sterimol/L: 17.1482 
 
 Surface and Volume Properties
  Accessible surface: 515.003  Positive charged surface: 157.179  Negative charged surface: 357.825  Volume: 276.25
  Hydrophobic surface: 318.236  Hydrophilic surface: 196.767
 
 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.