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NANOSIN-ZINC01514595

 MMsINC code: MMs02198272
Type: Neutral
Formula: C14H10Cl2N4S
SMILES:   Clc1ccc(cc1)C(Nc1snnn1)c1ccc(Cl)cc1
InChI:   InChI=1/C14H10Cl2N4S/c15-11-5-1-9(2-6-11)13(17-14-18-19-20-21-14)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18,20)

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Potential Energy
Epot(MMFF94)=65.3698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.234 g/mol  logS: -5.47601  SlogP: 4.5369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.282225  Sterimol/B1: 2.50707  Sterimol/B2: 5.04573  Sterimol/B3: 5.06041
  Sterimol/B4: 7.31795  Sterimol/L: 13.2308 
 
 Surface and Volume Properties
  Accessible surface: 523.771  Positive charged surface: 196.55  Negative charged surface: 295.966  Volume: 281.25
  Hydrophobic surface: 449.531  Hydrophilic surface: 74.24
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.