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NCID-ZINC01659785

 MMsINC code: MMs02297315
Type: Neutral
Formula: C7H6Cl3N5
SMILES:   ClC(Cl)(Cl)c1nc2n(nc(N)c2nc1)C
InChI:   InChI=1/C7H6Cl3N5/c1-15-6-4(5(11)14-15)12-2-3(13-6)7(8,9)10/h2H,1H3,(H2,11,14)

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Potential Energy
Epot(MMFF94)=67.5063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.519 g/mol  logS: -2.81757  SlogP: 2.4429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469648  Sterimol/B1: 1.969  Sterimol/B2: 3.43521  Sterimol/B3: 3.58608
  Sterimol/B4: 6.91123  Sterimol/L: 11.6213 
 
 Surface and Volume Properties
  Accessible surface: 421.287  Positive charged surface: 207.704  Negative charged surface: 213.582  Volume: 197.75
  Hydrophobic surface: 128.645  Hydrophilic surface: 292.642
 
 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.