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ENAMINE-ZINC03365436

 MMsINC code: MMs01398231
Type: Neutral
Formula: C25H20ClNO6S
SMILES:   Clc1ccc(cc1S(=O)(=O)NCc1ccccc1)C(OCC1=CC(Oc2c1ccc(c2)C)=O)=O
InChI:   InChI=1/C25H20ClNO6S/c1-16-7-9-20-19(13-24(28)33-22(20)11-16)15-32-25(29)18-8-10-21(26)23(12-18)34(30,31)27-14-17-5-3-2-4-6-17/h2-13,27H,14-15H2,1H3

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Potential Energy
Epot(MMFF94)=104.345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 497.955 g/mol  logS: -7.77075  SlogP: 4.55272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462535  Sterimol/B1: 3.15875  Sterimol/B2: 4.43715  Sterimol/B3: 5.76839
  Sterimol/B4: 6.77975  Sterimol/L: 23.5902 
 
 Surface and Volume Properties
  Accessible surface: 757.358  Positive charged surface: 357.178  Negative charged surface: 400.18  Volume: 427.75
  Hydrophobic surface: 570.615  Hydrophilic surface: 186.743
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.