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CHEMBLOCK-ZINC00269156

 MMsINC code: MMs00503790
Type: Neutral
Formula: C8H8Cl2N2O
SMILES:   Clc1cc(NNC(=O)C)ccc1Cl
InChI:   InChI=1/C8H8Cl2N2O/c1-5(13)11-12-6-2-3-7(9)8(10)4-6/h2-4,12H,1H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=51.9172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.071 g/mol  logS: -2.7602  SlogP: 2.4564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00890511  Sterimol/B1: 2.10296  Sterimol/B2: 2.51217  Sterimol/B3: 4.40255
  Sterimol/B4: 4.62298  Sterimol/L: 13.4256 
 
 Surface and Volume Properties
  Accessible surface: 398.237  Positive charged surface: 162.388  Negative charged surface: 235.849  Volume: 180.75
  Hydrophobic surface: 324.745  Hydrophilic surface: 73.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.