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IFLAB-ZINC01255194

 MMsINC code: MMs01983941
Type: Neutral
Formula: C8H3ClF5NO4S
SMILES:   Clc1ccc(S(=O)(=O)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-]
InChI:   InChI=1/C8H3ClF5NO4S/c9-5-2-1-4(3-6(5)15(16)17)20(18,19)8(13,14)7(10,11)12/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.624 g/mol  logS: -4.89238  SlogP: 4.0168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843858  Sterimol/B1: 2.6811  Sterimol/B2: 3.24209  Sterimol/B3: 3.32439
  Sterimol/B4: 6.26077  Sterimol/L: 12.5529 
 
 Surface and Volume Properties
  Accessible surface: 421.599  Positive charged surface: 68.1528  Negative charged surface: 353.446  Volume: 204.125
  Hydrophobic surface: 152  Hydrophilic surface: 269.599
 
 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.