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APOLLO-ZINC02577660

 MMsINC code: MMs00055203
Type: Neutral
Formula: C13H8Cl2F3NO2S
SMILES:   Clc1cc(S(=O)(=O)c2ccc(Cl)cc2)c(N)cc1C(F)(F)F
InChI:   InChI=1/C13H8Cl2F3NO2S/c14-7-1-3-8(4-2-7)22(20,21)12-6-10(15)9(5-11(12)19)13(16,17)18/h1-6H,19H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.178 g/mol  logS: -5.59544  SlogP: 4.7387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15677  Sterimol/B1: 3.30315  Sterimol/B2: 4.01292  Sterimol/B3: 4.98635
  Sterimol/B4: 5.32234  Sterimol/L: 14.4163 
 
 Surface and Volume Properties
  Accessible surface: 500.394  Positive charged surface: 137.905  Negative charged surface: 362.49  Volume: 266.875
  Hydrophobic surface: 315.666  Hydrophilic surface: 184.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.