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NCID-ZINC04886949

 MMsINC code: MMs02412353
Type: Neutral
Formula: C12H8Cl4N4
SMILES:   Clc1c(N\N=C(/C)\c2cc(Cl)c(Cl)cc2)cnnc1Cl
InChI:   InChI=1/C12H8Cl4N4/c1-6(7-2-3-8(13)9(14)4-7)18-19-10-5-17-20-12(16)11(10)15/h2-5H,1H3,(H,19,20)/b18-6-

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Potential Energy
Epot(MMFF94)=98.2014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.036 g/mol  logS: -5.29617  SlogP: 4.9263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0487726  Sterimol/B1: 2.19177  Sterimol/B2: 2.73757  Sterimol/B3: 3.63627
  Sterimol/B4: 8.37494  Sterimol/L: 14.5497 
 
 Surface and Volume Properties
  Accessible surface: 512.181  Positive charged surface: 173.084  Negative charged surface: 339.097  Volume: 272.375
  Hydrophobic surface: 444.951  Hydrophilic surface: 67.23
 
 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.