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APOLLO-ZINC02157210

 MMsINC code: MMs00050723
Type: Neutral
Formula: C16H11Cl3N2O3S
SMILES:   Clc1ccc(S(=O)(=O)Cc2cc(ccc2)-c2nc(on2)C(Cl)Cl)cc1
InChI:   InChI=1/C16H11Cl3N2O3S/c17-12-4-6-13(7-5-12)25(22,23)9-10-2-1-3-11(8-10)15-20-16(14(18)19)24-21-15/h1-8,14H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.9705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.7 g/mol  logS: -7.21146  SlogP: 5.202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214667  Sterimol/B1: 2.53798  Sterimol/B2: 2.73362  Sterimol/B3: 3.53154
  Sterimol/B4: 7.9816  Sterimol/L: 19.607 
 
 Surface and Volume Properties
  Accessible surface: 618.612  Positive charged surface: 212.479  Negative charged surface: 406.133  Volume: 327.75
  Hydrophobic surface: 387.259  Hydrophilic surface: 231.353
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.