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ENAMINE-ZINC03473246

 MMsINC code: MMs01462210
Type: Neutral
Formula: C15H12FNO4S
SMILES:   S(Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1F
InChI:   InChI=1/C15H12FNO4S/c16-13-3-1-2-4-14(13)22-8-11-6-12(17(18)19)5-10-7-20-9-21-15(10)11/h1-6H,7-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.2882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.328 g/mol  logS: -5.28031  SlogP: 4.4255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074713  Sterimol/B1: 3.49163  Sterimol/B2: 4.53397  Sterimol/B3: 5.33897
  Sterimol/B4: 6.04895  Sterimol/L: 14.7856 
 
 Surface and Volume Properties
  Accessible surface: 524.927  Positive charged surface: 265.09  Negative charged surface: 259.836  Volume: 269.75
  Hydrophobic surface: 360.103  Hydrophilic surface: 164.824
 
 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.