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ASINEX-ZINC01363692

 MMsINC code: MMs00247686
Type: Neutral
Formula: C19H17ClFN3O3S
SMILES:   Clc1ccc(cc1)-c1nc(on1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChI:   InChI=1/C19H17ClFN3O3S/c20-15-5-3-13(4-6-15)18-22-19(27-23-18)14-2-1-11-24(12-14)28(25,26)17-9-7-16(21)8-10-17/h3-10,14H,1-2,11-12H2/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=65.9559 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: 0.0739965  Sterimol/B1: 4.12724  Sterimol/B2: 4.23793  Sterimol/B3: 4.34995
  Sterimol/B4: 6.69187  Sterimol/L: 17.6562 
 
 Surface and Volume Properties
  Accessible surface: 631.931  Positive charged surface: 301.709  Negative charged surface: 330.222  Volume: 352.875
  Hydrophobic surface: 530.589  Hydrophilic surface: 101.342
 
 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.