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APOLLO-ZINC02141696

 MMsINC code: MMs00050204
Type: Neutral
Formula: C16H10Cl4O4S
SMILES:   Clc1cc(Sc2cc(Cl)ccc2OC(=O)CCl)c(OC(=O)CCl)cc1
InChI:   InChI=1/C16H10Cl4O4S/c17-7-15(21)23-11-3-1-9(19)5-13(11)25-14-6-10(20)2-4-12(14)24-16(22)8-18/h1-6H,7-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.13 g/mol  logS: -7.9216  SlogP: 5.433  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.385322  Sterimol/B1: 2.97404  Sterimol/B2: 4.87377  Sterimol/B3: 8.00527
  Sterimol/B4: 8.37682  Sterimol/L: 13.3563 
 
 Surface and Volume Properties
  Accessible surface: 638.067  Positive charged surface: 218.185  Negative charged surface: 419.882  Volume: 339.5
  Hydrophobic surface: 426.351  Hydrophilic surface: 211.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.