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PUBCHEM-ZINC02012516

 MMsINC code: MMs02850139
Type: Neutral
Formula: C8H12Cl3N5
SMILES:   ClC(Cl)(Cl)c1nc(nc(n1)NC)NC(C)C
InChI:   InChI=1/C8H12Cl3N5/c1-4(2)13-7-15-5(8(9,10)11)14-6(12-3)16-7/h4H,1-3H3,(H2,12,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-26.2793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.578 g/mol  logS: -4.11416  SlogP: 2.8718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871615  Sterimol/B1: 2.69133  Sterimol/B2: 3.97896  Sterimol/B3: 4.48754
  Sterimol/B4: 7.07871  Sterimol/L: 12.2363 
 
 Surface and Volume Properties
  Accessible surface: 485.422  Positive charged surface: 261.843  Negative charged surface: 223.579  Volume: 232
  Hydrophobic surface: 193.506  Hydrophilic surface: 291.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.