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PUBCHEM-ZINC02764118

 MMsINC code: MMs02919538
Type: Neutral
Formula: C20H17ClN2O3S
SMILES:   Clc1ccc(cc1)-c1csc(NC(=O)Nc2ccc(cc2)C)c1C(OC)=O
InChI:   InChI=1/C20H17ClN2O3S/c1-12-3-9-15(10-4-12)22-20(25)23-18-17(19(24)26-2)16(11-27-18)13-5-7-14(21)8-6-13/h3-11H,1-2H3,(H2,22,23,25)

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Potential Energy
Epot(MMFF94)=86.8979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.886 g/mol  logS: -7.23338  SlogP: 5.80752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0168699  Sterimol/B1: 2.76241  Sterimol/B2: 3.60283  Sterimol/B3: 3.75129
  Sterimol/B4: 6.56214  Sterimol/L: 20.9222 
 
 Surface and Volume Properties
  Accessible surface: 659.359  Positive charged surface: 342.062  Negative charged surface: 317.297  Volume: 355.875
  Hydrophobic surface: 576.271  Hydrophilic surface: 83.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.