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MAYBRIDGE-ZINC04394682

 MMsINC code: MMs02174710
Type: Neutral
Formula: C7H6Cl2N2O
SMILES:   Clc1cc(cc(Cl)c1)/C(=N\O)/N
InChI:   InChI=1/C7H6Cl2N2O/c8-5-1-4(7(10)11-12)2-6(9)3-5/h1-3,12H,(H2,10,11)

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Potential Energy
Epot(MMFF94)=28.2674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.044 g/mol  logS: -2.9208  SlogP: 2.0879  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.08043e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.098  Sterimol/B3: 3.70521
  Sterimol/B4: 5.76912  Sterimol/L: 10.7257 
 
 Surface and Volume Properties
  Accessible surface: 365.633  Positive charged surface: 138.827  Negative charged surface: 226.806  Volume: 164.375
  Hydrophobic surface: 236.188  Hydrophilic surface: 129.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.