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ENAMINE-ZINC03304140

 MMsINC code: MMs01360122
Type: Neutral
Formula: C18H18ClFN2O5S2
SMILES:   Clc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3sccc3)CC2)ccc1F
InChI:   InChI=1/C18H18ClFN2O5S2/c19-14-10-13(3-4-15(14)20)21-16(23)11-27-18(24)12-5-7-22(8-6-12)29(25,26)17-2-1-9-28-17/h1-4,9-10,12H,5-8,11H2,(H,21,23)

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Potential Energy
Epot(MMFF94)=67.0193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.934 g/mol  logS: -5.00618  SlogP: 3.1232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0826585  Sterimol/B1: 2.5293  Sterimol/B2: 3.5264  Sterimol/B3: 5.03243
  Sterimol/B4: 7.68304  Sterimol/L: 19.8804 
 
 Surface and Volume Properties
  Accessible surface: 684.95  Positive charged surface: 338.57  Negative charged surface: 346.379  Volume: 370.875
  Hydrophobic surface: 545.132  Hydrophilic surface: 139.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.