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ASINEX-ZINC02430727

 MMsINC code: MMs00271146
Type: Neutral
Formula: C16H10Cl2N2O2S
SMILES:   Clc1c2c(sc1C(=O)Nc1ccccc1C(=O)N)cc(Cl)cc2
InChI:   InChI=1/C16H10Cl2N2O2S/c17-8-5-6-10-12(7-8)23-14(13(10)18)16(22)20-11-4-2-1-3-9(11)15(19)21/h1-7H,(H2,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=69.8369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.24 g/mol  logS: -6.72892  SlogP: 4.5593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00982434  Sterimol/B1: 2.41601  Sterimol/B2: 3.09856  Sterimol/B3: 3.58704
  Sterimol/B4: 6.33955  Sterimol/L: 16.9484 
 
 Surface and Volume Properties
  Accessible surface: 550.097  Positive charged surface: 222.312  Negative charged surface: 322.926  Volume: 296.75
  Hydrophobic surface: 433.037  Hydrophilic surface: 117.06
 
 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.