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ENAMINE-ZINC03352224

 MMsINC code: MMs01390326
Type: Neutral
Formula: C19H12Cl2FN3O3S
SMILES:   Clc1ccccc1NS(=O)(=O)c1cc2nc(oc2cc1)Nc1cc(Cl)c(F)cc1
InChI:   InChI=1/C19H12Cl2FN3O3S/c20-13-3-1-2-4-16(13)25-29(26,27)12-6-8-18-17(10-12)24-19(28-18)23-11-5-7-15(22)14(21)9-11/h1-10,25H,(H,23,24)

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Potential Energy
Epot(MMFF94)=67.4897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.293 g/mol  logS: -7.66235  SlogP: 5.8181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0958708  Sterimol/B1: 2.96548  Sterimol/B2: 3.77094  Sterimol/B3: 5.36869
  Sterimol/B4: 7.48989  Sterimol/L: 16.2339 
 
 Surface and Volume Properties
  Accessible surface: 645.846  Positive charged surface: 267.211  Negative charged surface: 378.635  Volume: 355.25
  Hydrophobic surface: 505.357  Hydrophilic surface: 140.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.