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ENAMINE-ZINC03481232

 MMsINC code: MMs01466131
Type: Neutral
Formula: C20H20ClFN2O5S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(OCC(=O)NCc2ccc(F)cc2)=O)cc1
InChI:   InChI=1/C20H20ClFN2O5S/c21-15-5-9-17(10-6-15)30(27,28)24-11-1-2-18(24)20(26)29-13-19(25)23-12-14-3-7-16(22)8-4-14/h3-10,18H,1-2,11-13H2,(H,23,25)/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=67.2149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.906 g/mol  logS: -5.22873  SlogP: 2.7582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426717  Sterimol/B1: 3.64694  Sterimol/B2: 4.53137  Sterimol/B3: 4.76983
  Sterimol/B4: 6.19249  Sterimol/L: 21.4863 
 
 Surface and Volume Properties
  Accessible surface: 715.102  Positive charged surface: 376.01  Negative charged surface: 339.092  Volume: 384.875
  Hydrophobic surface: 588.411  Hydrophilic surface: 126.691
 
 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.