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ASINEX-ZINC01324256

 MMsINC code: MMs00234539
Type: Neutral
Formula: C22H17FN2O3S
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)Nc1ccccc1C(OC)=O
InChI:   InChI=1/C22H17FN2O3S/c1-28-22(27)16-4-2-3-5-17(16)24-21(26)19-12-20-18(10-11-29-20)25(19)13-14-6-8-15(23)9-7-14/h2-12H,13H2,1H3,(H,24,26)

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Potential Energy
Epot(MMFF94)=87.2509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.453 g/mol  logS: -5.75886  SlogP: 5.1955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17547  Sterimol/B1: 2.66737  Sterimol/B2: 4.38249  Sterimol/B3: 6.58601
  Sterimol/B4: 6.81925  Sterimol/L: 14.8541 
 
 Surface and Volume Properties
  Accessible surface: 640.308  Positive charged surface: 350.377  Negative charged surface: 289.931  Volume: 367.75
  Hydrophobic surface: 585.879  Hydrophilic surface: 54.429
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.