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OAKWOOD-ZINC04716459

 MMsINC code: MMs02553355
Type: Neutral
Formula: C12H3ClF6O3S
SMILES:   Clc1cc(S(Oc2c(F)c(F)c(F)c(F)c2F)(=O)=O)ccc1F
InChI:   InChI=1/C12H3ClF6O3S/c13-5-3-4(1-2-6(5)14)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)=61.8146 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: 0.106654  Sterimol/B1: 2.70834  Sterimol/B2: 4.08427  Sterimol/B3: 4.17878
  Sterimol/B4: 5.95774  Sterimol/L: 12.3488 
 
 Surface and Volume Properties
  Accessible surface: 448.947  Positive charged surface: 111.26  Negative charged surface: 337.687  Volume: 237
  Hydrophobic surface: 379.562  Hydrophilic surface: 69.385
 
 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.