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ASINEX-ZINC00753788

 MMsINC code: MMs00156878
Type: Neutral
Formula: C18H15ClN4O4S
SMILES:   Clc1ccc(cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2OC)cc1
InChI:   InChI=1/C18H15ClN4O4S/c1-27-18-16(20-10-11-21-18)23-28(25,26)15-8-6-14(7-9-15)22-17(24)12-2-4-13(19)5-3-12/h2-11H,1H3,(H,20,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=90.3911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.861 g/mol  logS: -3.90762  SlogP: 3.1917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0777174  Sterimol/B1: 2.28932  Sterimol/B2: 4.24745  Sterimol/B3: 6.17225
  Sterimol/B4: 6.59184  Sterimol/L: 19.7173 
 
 Surface and Volume Properties
  Accessible surface: 641.379  Positive charged surface: 366.78  Negative charged surface: 274.599  Volume: 349.25
  Hydrophobic surface: 496.165  Hydrophilic surface: 145.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.