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ASINEX-ZINC01329335

 MMsINC code: MMs00236620
Type: Neutral
Formula: C20H25FN2O4S2
SMILES:   S(=O)(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(CC)C)cc1
InChI:   InChI=1/C20H25FN2O4S2/c1-3-15(2)23(14-16-4-6-17(21)7-5-16)29(26,27)20-12-10-19(11-13-20)28(24,25)22-18-8-9-18/h4-7,10-13,15,18,22H,3,8-9,14H2,1-2H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=57.1099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.56 g/mol  logS: -4.60787  SlogP: 3.5222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751171  Sterimol/B1: 2.36805  Sterimol/B2: 4.16229  Sterimol/B3: 4.76497
  Sterimol/B4: 8.00786  Sterimol/L: 18.8314 
 
 Surface and Volume Properties
  Accessible surface: 652.159  Positive charged surface: 350.233  Negative charged surface: 301.926  Volume: 389
  Hydrophobic surface: 453.003  Hydrophilic surface: 199.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.