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IFLAB-ZINC04337099

 MMsINC code: MMs02042921
Type: Neutral
Formula: C15H20ClN3O6S
SMILES:   Clc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCOC)cc1
InChI:   InChI=1/C15H20ClN3O6S/c1-24-8-6-17-14(20)15(21)18-10-13-19(7-9-25-13)26(22,23)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3,(H,17,20)(H,18,21)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=61.3595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.859 g/mol  logS: -2.69272  SlogP: -0.4342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123299  Sterimol/B1: 3.24952  Sterimol/B2: 3.39547  Sterimol/B3: 4.05602
  Sterimol/B4: 7.09624  Sterimol/L: 15.645 
 
 Surface and Volume Properties
  Accessible surface: 588.979  Positive charged surface: 384.144  Negative charged surface: 204.835  Volume: 340
  Hydrophobic surface: 446.061  Hydrophilic surface: 142.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.