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OAKWOOD-ZINC04716458

 MMsINC code: MMs02553354
Type: Neutral
Formula: C12H3ClF6O3S
SMILES:   Clc1cc(F)ccc1S(Oc1c(F)c(F)c(F)c(F)c1F)(=O)=O
InChI:   InChI=1/C12H3ClF6O3S/c13-5-3-4(14)1-2-6(5)23(20,21)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.2991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.66 g/mol  logS: -5.98638  SlogP: 3.9423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773882  Sterimol/B1: 2.87811  Sterimol/B2: 3.11175  Sterimol/B3: 3.82859
  Sterimol/B4: 5.05743  Sterimol/L: 14.8324 
 
 Surface and Volume Properties
  Accessible surface: 468.972  Positive charged surface: 136.725  Negative charged surface: 332.247  Volume: 239.375
  Hydrophobic surface: 421.411  Hydrophilic surface: 47.561
 
 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.