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APOLLO-ZINC00159905

 MMsINC code: MMs00045593
Type: Neutral
Formula: C10H11Cl2NO3S
SMILES:   ClC(Cl)C(=O)Nc1scc(C)c1C(OCC)=O
InChI:   InChI=1/C10H11Cl2NO3S/c1-3-16-10(15)6-5(2)4-17-9(6)13-8(14)7(11)12/h4,7H,3H2,1-2H3,(H,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.5414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.174 g/mol  logS: -3.83268  SlogP: 3.39532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0820198  Sterimol/B1: 2.11939  Sterimol/B2: 2.27467  Sterimol/B3: 4.39962
  Sterimol/B4: 8.45263  Sterimol/L: 12.9164 
 
 Surface and Volume Properties
  Accessible surface: 495.953  Positive charged surface: 212.678  Negative charged surface: 283.275  Volume: 239.25
  Hydrophobic surface: 283.894  Hydrophilic surface: 212.059
 
 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.