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ASINEX-ZINC00892104

 MMsINC code: MMs00210036
Type: Neutral
Formula: C18H15ClFN3OS
SMILES:   Clc1ccccc1NC(=O)CSc1ncc(n1C)-c1ccc(F)cc1
InChI:   InChI=1/C18H15ClFN3OS/c1-23-16(12-6-8-13(20)9-7-12)10-21-18(23)25-11-17(24)22-15-5-3-2-4-14(15)19/h2-10H,11H2,1H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=87.2023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.855 g/mol  logS: -6.92713  SlogP: 4.9696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00576742  Sterimol/B1: 2.03303  Sterimol/B2: 2.11054  Sterimol/B3: 2.98088
  Sterimol/B4: 6.9301  Sterimol/L: 20.7686 
 
 Surface and Volume Properties
  Accessible surface: 612.912  Positive charged surface: 325.374  Negative charged surface: 287.538  Volume: 328.125
  Hydrophobic surface: 526.901  Hydrophilic surface: 86.011
 
 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.