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OAKWOOD-ZINC04716456

 MMsINC code: MMs02553352
Type: Neutral
Formula: C12H3Cl2F5O3S
SMILES:   Clc1cccc(Cl)c1S(Oc1c(F)c(F)c(F)c(F)c1F)(=O)=O
InChI:   InChI=1/C12H3Cl2F5O3S/c13-4-2-1-3-5(14)12(4)23(20,21)22-11-9(18)7(16)6(15)8(17)10(11)19/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.4141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.115 g/mol  logS: -6.42569  SlogP: 4.4566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0823922  Sterimol/B1: 2.76687  Sterimol/B2: 4.15768  Sterimol/B3: 4.25011
  Sterimol/B4: 4.40708  Sterimol/L: 14.5708 
 
 Surface and Volume Properties
  Accessible surface: 482.743  Positive charged surface: 132.79  Negative charged surface: 349.952  Volume: 249
  Hydrophobic surface: 444.761  Hydrophilic surface: 37.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.