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PUBCHEM-ZINC05800058

 MMsINC code: MMs03391652
Type: Neutral
Formula: C13H11ClN2OS
SMILES:   Clc1cc(NC(=S)Nc2ccccc2)c(O)cc1
InChI:   InChI=1/C13H11ClN2OS/c14-9-6-7-12(17)11(8-9)16-13(18)15-10-4-2-1-3-5-10/h1-8,17H,(H2,15,16,18)

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Potential Energy
Epot(MMFF94)=111.686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.763 g/mol  logS: -4.84103  SlogP: 3.8545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842572  Sterimol/B1: 3.29814  Sterimol/B2: 4.00175  Sterimol/B3: 4.61038
  Sterimol/B4: 4.74764  Sterimol/L: 14.3786 
 
 Surface and Volume Properties
  Accessible surface: 480.436  Positive charged surface: 233.886  Negative charged surface: 246.55  Volume: 243.375
  Hydrophobic surface: 355.542  Hydrophilic surface: 124.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.