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CHEMDIV-ZINC05403040

 MMsINC code: MMs00996057
Type: Neutral
Formula: C14H11FN2O3S
SMILES:   S(=O)(=O)(Nc1ccccc1F)c1cc2CC(=O)Nc2cc1
InChI:   InChI=1/C14H11FN2O3S/c15-11-3-1-2-4-13(11)17-21(19,20)10-5-6-12-9(7-10)8-14(18)16-12/h1-7,17H,8H2,(H,16,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.9641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.317 g/mol  logS: -3.72766  SlogP: 2.12107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199539  Sterimol/B1: 2.94293  Sterimol/B2: 3.45184  Sterimol/B3: 4.75088
  Sterimol/B4: 7.19084  Sterimol/L: 11.8478 
 
 Surface and Volume Properties
  Accessible surface: 477.719  Positive charged surface: 246.501  Negative charged surface: 231.218  Volume: 252.5
  Hydrophobic surface: 313.438  Hydrophilic surface: 164.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.