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ASINEX-ZINC00342458

 MMsINC code: MMs00121297
Type: Neutral
Formula: C14H8ClFN2OS
SMILES:   Clc1c2c(sc1C(=O)Nc1ncccc1)cc(F)cc2
InChI:   InChI=1/C14H8ClFN2OS/c15-12-9-5-4-8(16)7-10(9)20-13(12)14(19)18-11-3-1-2-6-17-11/h1-7H,(H,17,18,19)

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Potential Energy
Epot(MMFF94)=45.6135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.748 g/mol  logS: -5.09061  SlogP: 4.3411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000367275  Sterimol/B1: 2.097  Sterimol/B2: 2.34118  Sterimol/B3: 3.09214
  Sterimol/B4: 5.80158  Sterimol/L: 16.2785 
 
 Surface and Volume Properties
  Accessible surface: 485.934  Positive charged surface: 220.128  Negative charged surface: 260.512  Volume: 253.125
  Hydrophobic surface: 439.045  Hydrophilic surface: 46.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.