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ENAMINE-ZINC05603038

 MMsINC code: MMs01626681
Type: Ionized
Formula: C16H12ClNO6S-2
SMILES:   Clc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)[O-])cc1C(=O)[O-]
InChI:   InChI=1/C16H14ClNO6S/c17-13-7-6-11(9-12(13)15(19)20)25(23,24)18-14(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,14,18H,8H2,(H,19,20)(H,21,22)/p-2/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=48.6314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.792 g/mol  logS: -4.27266  SlogP: -0.65703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.338501  Sterimol/B1: 2.1911  Sterimol/B2: 4.24389  Sterimol/B3: 4.63129
  Sterimol/B4: 7.57728  Sterimol/L: 13.0811 
 
 Surface and Volume Properties
  Accessible surface: 506.822  Positive charged surface: 195.53  Negative charged surface: 311.292  Volume: 311.5
  Hydrophobic surface: 288.349  Hydrophilic surface: 218.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 4  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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Parent related molecule:


MMs01626680
ENAMINE-ZINC05603038