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ENAMINE-ZINC03422651

 MMsINC code: MMs01432796
Type: Neutral
Formula: C16H12ClFN2OS
SMILES:   Clc1cc2nc(sc2cc1)N(C(=O)c1ccccc1F)CC
InChI:   InChI=1/C16H12ClFN2OS/c1-2-20(15(21)11-5-3-4-6-12(11)18)16-19-13-9-10(17)7-8-14(13)22-16/h3-9H,2H2,1H3

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Potential Energy
Epot(MMFF94)=71.8424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.802 g/mol  logS: -5.89221  SlogP: 4.7555  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0573877  Sterimol/B1: 2.03374  Sterimol/B2: 2.43861  Sterimol/B3: 4.68505
  Sterimol/B4: 6.66416  Sterimol/L: 16.5124 
 
 Surface and Volume Properties
  Accessible surface: 528.918  Positive charged surface: 240.649  Negative charged surface: 288.269  Volume: 287
  Hydrophobic surface: 459.717  Hydrophilic surface: 69.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.