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CHEMBRIDGE-ZINC01173481

 MMsINC code: MMs00679772
Type: Neutral
Formula: C17H16Cl2N2O3S
SMILES:   Clc1cc(ccc1OCC)C(=O)NC(=S)Nc1cc(Cl)c(OC)cc1
InChI:   InChI=1/C17H16Cl2N2O3S/c1-3-24-15-6-4-10(8-12(15)18)16(22)21-17(25)20-11-5-7-14(23-2)13(19)9-11/h4-9H,3H2,1-2H3,(H2,20,21,22,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.298 g/mol  logS: -6.71491  SlogP: 4.5275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0111422  Sterimol/B1: 2.90282  Sterimol/B2: 3.51208  Sterimol/B3: 3.79522
  Sterimol/B4: 4.89701  Sterimol/L: 21.564 
 
 Surface and Volume Properties
  Accessible surface: 645.277  Positive charged surface: 342.603  Negative charged surface: 302.674  Volume: 338.875
  Hydrophobic surface: 507.132  Hydrophilic surface: 138.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.