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ASINEX-ZINC00360956

 MMsINC code: MMs00124219
Type: Neutral
Formula: C14H10ClN3OS
SMILES:   Clc1cc(NC(=O)Nc2sc3c(n2)cccc3)ccc1
InChI:   InChI=1/C14H10ClN3OS/c15-9-4-3-5-10(8-9)16-13(19)18-14-17-11-6-1-2-7-12(11)20-14/h1-8H,(H2,16,17,18,19)

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Potential Energy
Epot(MMFF94)=44.6904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.773 g/mol  logS: -5.27319  SlogP: 4.5937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0113909  Sterimol/B1: 2.78511  Sterimol/B2: 3.23226  Sterimol/B3: 3.42501
  Sterimol/B4: 4.35732  Sterimol/L: 17.5859 
 
 Surface and Volume Properties
  Accessible surface: 515.204  Positive charged surface: 247.331  Negative charged surface: 267.874  Volume: 259.75
  Hydrophobic surface: 415.361  Hydrophilic surface: 99.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.