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ASINEX-ZINC00808531

 MMsINC code: MMs00174188
Type: Neutral
Formula: C21H20ClNO4S2
SMILES:   Clc1ccc(S(=O)(=O)c2cc(cc(S(=O)(=O)Nc3ccccc3C)c2C)C)cc1
InChI:   InChI=1/C21H20ClNO4S2/c1-14-12-20(28(24,25)18-10-8-17(22)9-11-18)16(3)21(13-14)29(26,27)23-19-7-5-4-6-15(19)2/h4-13,23H,1-3H3

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Potential Energy
Epot(MMFF94)=99.1893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.979 g/mol  logS: -6.54042  SlogP: 4.89886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148214  Sterimol/B1: 2.34084  Sterimol/B2: 3.75436  Sterimol/B3: 5.54646
  Sterimol/B4: 9.36453  Sterimol/L: 16.6321 
 
 Surface and Volume Properties
  Accessible surface: 638.064  Positive charged surface: 280.398  Negative charged surface: 357.667  Volume: 383.875
  Hydrophobic surface: 516.997  Hydrophilic surface: 121.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.