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ENAMINE-ZINC03317329

 MMsINC code: MMs01367810
Type: Neutral
Formula: C13H8Cl3NO3S
SMILES:   Clc1cc(Cl)cc(Cl)c1NC(=O)COC(=O)c1sccc1
InChI:   InChI=1/C13H8Cl3NO3S/c14-7-4-8(15)12(9(16)5-7)17-11(18)6-20-13(19)10-2-1-3-21-10/h1-5H,6H2,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.1055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.636 g/mol  logS: -5.77258  SlogP: 4.5038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058746  Sterimol/B1: 3.62858  Sterimol/B2: 4.46865  Sterimol/B3: 4.66163
  Sterimol/B4: 4.83434  Sterimol/L: 17.8805 
 
 Surface and Volume Properties
  Accessible surface: 558.925  Positive charged surface: 181.734  Negative charged surface: 377.192  Volume: 281.75
  Hydrophobic surface: 475.919  Hydrophilic surface: 83.006
 
 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.