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ASINEX-ZINC01324265

 MMsINC code: MMs00234543
Type: Neutral
Formula: C20H14ClFN2OS
SMILES:   Clc1ccc(NC(=O)c2n(c3c(scc3)c2)Cc2ccc(F)cc2)cc1
InChI:   InChI=1/C20H14ClFN2OS/c21-14-3-7-16(8-4-14)23-20(25)18-11-19-17(9-10-26-19)24(18)12-13-1-5-15(22)6-2-13/h1-11H,12H2,(H,23,25)

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Potential Energy
Epot(MMFF94)=113.681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.862 g/mol  logS: -6.11142  SlogP: 6.0623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623287  Sterimol/B1: 3.02808  Sterimol/B2: 3.91767  Sterimol/B3: 4.58048
  Sterimol/B4: 7.24479  Sterimol/L: 16.8701 
 
 Surface and Volume Properties
  Accessible surface: 578.527  Positive charged surface: 224.385  Negative charged surface: 354.142  Volume: 336.25
  Hydrophobic surface: 536.881  Hydrophilic surface: 41.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.