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ENAMINE-ZINC05702625

 MMsINC code: MMs01635877
Type: Neutral
Formula: C13H10FNO5S
SMILES:   S(=O)(=O)(C)c1cc([N+](=O)[O-])c(Oc2cc(F)ccc2)cc1
InChI:   InChI=1/C13H10FNO5S/c1-21(18,19)11-5-6-13(12(8-11)15(16)17)20-10-4-2-3-9(14)7-10/h2-8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.2482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.289 g/mol  logS: -4.39349  SlogP: 2.9297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107139  Sterimol/B1: 2.38526  Sterimol/B2: 2.98502  Sterimol/B3: 4.35892
  Sterimol/B4: 7.06996  Sterimol/L: 13.9948 
 
 Surface and Volume Properties
  Accessible surface: 492.934  Positive charged surface: 203.78  Negative charged surface: 289.154  Volume: 248.75
  Hydrophobic surface: 347.645  Hydrophilic surface: 145.289
 
 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.