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ENAMINE-ZINC05702589

 MMsINC code: MMs01635854
Type: Neutral
Formula: C13H10FNO5S
SMILES:   S(=O)(=O)(C)c1cc([N+](=O)[O-])c(Oc2ccccc2F)cc1
InChI:   InChI=1/C13H10FNO5S/c1-21(18,19)9-6-7-13(11(8-9)15(16)17)20-12-5-3-2-4-10(12)14/h2-8H,1H3

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Potential Energy
Epot(MMFF94)=82.4767 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: 0.106636  Sterimol/B1: 2.47269  Sterimol/B2: 2.96655  Sterimol/B3: 4.41905
  Sterimol/B4: 7.02876  Sterimol/L: 14.0552 
 
 Surface and Volume Properties
  Accessible surface: 488.769  Positive charged surface: 203.267  Negative charged surface: 285.502  Volume: 248.5
  Hydrophobic surface: 345.943  Hydrophilic surface: 142.826
 
 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.