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ASINEX-ZINC00037693

 MMsINC code: MMs00061940
Type: Neutral
Formula: C15H10ClNOS
SMILES:   Clc1c2c(sc1C(=O)Nc1ccccc1)cccc2
InChI:   InChI=1/C15H10ClNOS/c16-13-11-8-4-5-9-12(11)19-14(13)15(18)17-10-6-2-1-3-7-10/h1-9H,(H,17,18)

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Potential Energy
Epot(MMFF94)=60.8862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.77 g/mol  logS: -5.74251  SlogP: 4.807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0118814  Sterimol/B1: 2.55579  Sterimol/B2: 2.81603  Sterimol/B3: 4.23923
  Sterimol/B4: 4.45567  Sterimol/L: 16.1152 
 
 Surface and Volume Properties
  Accessible surface: 483.256  Positive charged surface: 213.511  Negative charged surface: 264.622  Volume: 254
  Hydrophobic surface: 450.781  Hydrophilic surface: 32.475
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.