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ASINEX-ZINC01359582

 MMsINC code: MMs00245704
Type: Neutral
Formula: C19H17ClFN3O3S
SMILES:   Clc1cc(S(=O)(=O)N2CC(CCC2)c2onc(n2)-c2ccc(F)cc2)ccc1
InChI:   InChI=1/C19H17ClFN3O3S/c20-15-4-1-5-17(11-15)28(25,26)24-10-2-3-14(12-24)19-22-18(23-27-19)13-6-8-16(21)9-7-13/h1,4-9,11,14H,2-3,10,12H2/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=63.0117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.88 g/mol  logS: -6.38287  SlogP: 4.0974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0758268  Sterimol/B1: 2.54425  Sterimol/B2: 4.31432  Sterimol/B3: 4.44357
  Sterimol/B4: 8.13821  Sterimol/L: 17.8125 
 
 Surface and Volume Properties
  Accessible surface: 638.06  Positive charged surface: 299.463  Negative charged surface: 338.597  Volume: 352.875
  Hydrophobic surface: 535.567  Hydrophilic surface: 102.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.