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ASINEX-ZINC03037118

 MMsINC code: MMs00283974
Type: Neutral
Formula: C9H3ClF7NO4S
SMILES:   Clc1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-]
InChI:   InChI=1/C9H3ClF7NO4S/c10-5-2-1-4(3-6(5)18(19)20)23(21,22)9(16,17)7(11,12)8(13,14)15/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.9962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.631 g/mol  logS: -5.59572  SlogP: 5.072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994781  Sterimol/B1: 2.54939  Sterimol/B2: 3.52092  Sterimol/B3: 3.70226
  Sterimol/B4: 6.36507  Sterimol/L: 14.0561 
 
 Surface and Volume Properties
  Accessible surface: 456.568  Positive charged surface: 68.0714  Negative charged surface: 388.496  Volume: 229.125
  Hydrophobic surface: 152  Hydrophilic surface: 304.568
 
 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.