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NCID-ZINC04786872

 MMsINC code: MMs02406127
Type: Neutral
Formula: C4H2Cl4N4O2
SMILES:   ClN1C2N(Cl)C(=O)N(Cl)C2N(Cl)C1=O
InChI:   InChI=1/C4H2Cl4N4O2/c5-9-1-2(11(7)3(9)13)12(8)4(14)10(1)6/h1-2H/t1-,2+

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Potential Energy
Epot(MMFF94)=19.641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.898 g/mol  logS: -2.7621  SlogP: 1.729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.258026  Sterimol/B1: 2.48842  Sterimol/B2: 3.57194  Sterimol/B3: 3.98224
  Sterimol/B4: 5.53261  Sterimol/L: 9.16815 
 
 Surface and Volume Properties
  Accessible surface: 374.41  Positive charged surface: 72.677  Negative charged surface: 301.733  Volume: 172.75
  Hydrophobic surface: 281.37  Hydrophilic surface: 93.04
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.