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ENAMINE-ZINC06336724

 MMsINC code: MMs01661949
Type: Neutral
Formula: C13H10FNO2S
SMILES:   S(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C13H10FNO2S/c14-13-4-2-1-3-10(13)9-18-12-7-5-11(6-8-12)15(16)17/h1-8H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.7272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.292 g/mol  logS: -5.25939  SlogP: 4.2926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06513  Sterimol/B1: 2.4246  Sterimol/B2: 3.68851  Sterimol/B3: 4.05323
  Sterimol/B4: 5.05691  Sterimol/L: 16.107 
 
 Surface and Volume Properties
  Accessible surface: 467.516  Positive charged surface: 191.317  Negative charged surface: 276.199  Volume: 228.875
  Hydrophobic surface: 351.047  Hydrophilic surface: 116.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.