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ENAMINE-ZINC05126475

 MMsINC code: MMs01590104
Type: Neutral
Formula: C13H11FN2O5S
SMILES:   S(=O)(=O)(Nc1ccccc1F)c1cc([N+](=O)[O-])c(OC)cc1
InChI:   InChI=1/C13H11FN2O5S/c1-21-13-7-6-9(8-12(13)16(17)18)22(19,20)15-11-5-3-2-4-10(11)14/h2-8,15H,1H3

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Potential Energy
Epot(MMFF94)=76.0609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.304 g/mol  logS: -4.18231  SlogP: 2.5433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202234  Sterimol/B1: 3.35471  Sterimol/B2: 4.39004  Sterimol/B3: 5.28916
  Sterimol/B4: 5.74217  Sterimol/L: 12.7397 
 
 Surface and Volume Properties
  Accessible surface: 491.835  Positive charged surface: 242.1  Negative charged surface: 249.735  Volume: 258.75
  Hydrophobic surface: 337.147  Hydrophilic surface: 154.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.