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PUBCHEM-ZINC02853752

 MMsINC code: MMs02940005
Type: Neutral
Formula: C17H12ClF3N2O4S3
SMILES:   Clc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3sccc3)cc2)cc1C(F)(F)F
InChI:   InChI=1/C17H12ClF3N2O4S3/c18-15-8-5-12(10-14(15)17(19,20)21)23-29(24,25)13-6-3-11(4-7-13)22-30(26,27)16-2-1-9-28-16/h1-10,22-23H

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Potential Energy
Epot(MMFF94)=59.3759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.938 g/mol  logS: -6.46441  SlogP: 5.3334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107605  Sterimol/B1: 4.12738  Sterimol/B2: 4.32261  Sterimol/B3: 4.32834
  Sterimol/B4: 6.38991  Sterimol/L: 17.0841 
 
 Surface and Volume Properties
  Accessible surface: 641.648  Positive charged surface: 220.401  Negative charged surface: 421.248  Volume: 364.375
  Hydrophobic surface: 381.339  Hydrophilic surface: 260.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.