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CHEMBRIDGE-ZINC02081705

 MMsINC code: MMs00701815
Type: Neutral
Formula: C20H20ClFN2O2S
SMILES:   Clc1cccc(F)c1\C=C\C(=O)Nc1sc2c(CCCCCC2)c1C(=O)N
InChI:   InChI=1/C20H20ClFN2O2S/c21-14-7-5-8-15(22)12(14)10-11-17(25)24-20-18(19(23)26)13-6-3-1-2-4-9-16(13)27-20/h5,7-8,10-11H,1-4,6,9H2,(H2,23,26)(H,24,25)/b11-10+

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Potential Energy
Epot(MMFF94)=124.905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.909 g/mol  logS: -7.22634  SlogP: 4.95034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0411624  Sterimol/B1: 3.49067  Sterimol/B2: 4.04842  Sterimol/B3: 4.35286
  Sterimol/B4: 4.99595  Sterimol/L: 18.811 
 
 Surface and Volume Properties
  Accessible surface: 632.197  Positive charged surface: 354.061  Negative charged surface: 278.136  Volume: 353.875
  Hydrophobic surface: 503.93  Hydrophilic surface: 128.267
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.