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CHEMBRIDGE-ZINC02841576

 MMsINC code: MMs00724605
Type: Neutral
Formula: C16H14ClFN2O3S
SMILES:   Clc1cc(F)ccc1C(=O)NC(=S)Nc1ccc(OC)cc1OC
InChI:   InChI=1/C16H14ClFN2O3S/c1-22-10-4-6-13(14(8-10)23-2)19-16(24)20-15(21)11-5-3-9(18)7-12(11)17/h3-8H,1-2H3,(H2,19,20,21,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.816 g/mol  logS: -5.94839  SlogP: 3.6231  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258844  Sterimol/B1: 2.54091  Sterimol/B2: 2.65645  Sterimol/B3: 3.91501
  Sterimol/B4: 8.04104  Sterimol/L: 18.345 
 
 Surface and Volume Properties
  Accessible surface: 580.522  Positive charged surface: 338.934  Negative charged surface: 241.588  Volume: 311.75
  Hydrophobic surface: 467.913  Hydrophilic surface: 112.609
 
 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.