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CHEMDIV-ZINC06820766

 MMsINC code: MMs01043822
Type: Neutral
Formula: C15H11ClFNO2S
SMILES:   Clc1cc(F)ccc1Cn1c2sccc2cc1C(OC)=O
InChI:   InChI=1/C15H11ClFNO2S/c1-20-15(19)13-6-9-4-5-21-14(9)18(13)8-10-2-3-11(17)7-12(10)16/h2-7H,8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.6249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.775 g/mol  logS: -5.31886  SlogP: 4.5966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144984  Sterimol/B1: 2.52818  Sterimol/B2: 3.39335  Sterimol/B3: 3.53549
  Sterimol/B4: 8.93758  Sterimol/L: 11.9694 
 
 Surface and Volume Properties
  Accessible surface: 493.479  Positive charged surface: 235.714  Negative charged surface: 251.897  Volume: 270.625
  Hydrophobic surface: 442.712  Hydrophilic surface: 50.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.