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MAYBRIDGE-ZINC01042660

 MMsINC code: MMs02154756
Type: Neutral
Formula: C14H8Cl2F3NO4S
SMILES:   Clc1cc(Cl)c(S(=O)(=O)c2ccc(cc2[N+](=O)[O-])C(F)(F)F)cc1C
InChI:   InChI=1/C14H8Cl2F3NO4S/c1-7-4-13(10(16)6-9(7)15)25(23,24)12-3-2-8(14(17,18)19)5-11(12)20(21)22/h2-6H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.187 g/mol  logS: -6.82526  SlogP: 5.37312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137454  Sterimol/B1: 3.69203  Sterimol/B2: 4.25483  Sterimol/B3: 4.69556
  Sterimol/B4: 6.10745  Sterimol/L: 14.1979 
 
 Surface and Volume Properties
  Accessible surface: 523.336  Positive charged surface: 138.101  Negative charged surface: 385.235  Volume: 288.75
  Hydrophobic surface: 320.91  Hydrophilic surface: 202.426
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.