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ENAMINE-ZINC02621540

 MMsINC code: MMs01255699
Type: Neutral
Formula: C19H15ClFN3O4S
SMILES:   Clc1ncc(cc1)C(=O)Nc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1
InChI:   InChI=1/C19H15ClFN3O4S/c1-28-17-8-5-14(23-19(25)12-2-9-18(20)22-11-12)10-16(17)24-29(26,27)15-6-3-13(21)4-7-15/h2-11,24H,1H3,(H,23,25)

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Potential Energy
Epot(MMFF94)=97.0949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 435.863 g/mol  logS: -5.14948  SlogP: 3.9358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151849  Sterimol/B1: 2.36577  Sterimol/B2: 3.55159  Sterimol/B3: 5.5352
  Sterimol/B4: 9.08098  Sterimol/L: 16.5308 
 
 Surface and Volume Properties
  Accessible surface: 643.923  Positive charged surface: 321.776  Negative charged surface: 322.147  Volume: 356.25
  Hydrophobic surface: 503.924  Hydrophilic surface: 139.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.