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PUBCHEM-ZINC06091454

 MMsINC code: MMs03537460
Type: Neutral
Formula: C8H3Cl2N3O4
SMILES:   ClC=1C(Cl)=CC2=NC(=O)C(=O)N=C2C=1N(O)O
InChI:   InChI=1/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1,16-17H

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Potential Energy
Epot(MMFF94)=119.958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.035 g/mol  logS: -3.55207  SlogP: 0.8201  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.8243e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09861  Sterimol/B3: 3.80779
  Sterimol/B4: 6.73901  Sterimol/L: 11.3485 
 
 Surface and Volume Properties
  Accessible surface: 392.1  Positive charged surface: 146.768  Negative charged surface: 245.332  Volume: 193.125
  Hydrophobic surface: 171.356  Hydrophilic surface: 220.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.