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PUBCHEM-ZINC03044367

 MMsINC code: MMs02985308
Type: Neutral
Formula: C15H9Cl2NO2S2
SMILES:   Clc1cc(Cl)ccc1-c1oc(cc1)\C=C/1\SC(=S)N(C)C\1=O
InChI:   InChI=1/C15H9Cl2NO2S2/c1-18-14(19)13(22-15(18)21)7-9-3-5-12(20-9)10-4-2-8(16)6-11(10)17/h2-7H,1H3/b13-7-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.8187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.28 g/mol  logS: -7.85328  SlogP: 5.0844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03419  Sterimol/B1: 3.273  Sterimol/B2: 3.61185  Sterimol/B3: 4.72776
  Sterimol/B4: 6.40271  Sterimol/L: 16.1875 
 
 Surface and Volume Properties
  Accessible surface: 561.806  Positive charged surface: 226.811  Negative charged surface: 334.996  Volume: 299.5
  Hydrophobic surface: 420.843  Hydrophilic surface: 140.963
 
 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.