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ENAMINE-ZINC03887368

 MMsINC code: MMs01528553
Type: Neutral
Formula: C8H8Cl2N2O
SMILES:   Clc1ccc(nc1)NC(=O)C(Cl)C
InChI:   InChI=1/C8H8Cl2N2O/c1-5(9)8(13)12-7-3-2-6(10)4-11-7/h2-5H,1H3,(H,11,12,13)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=36.51 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.071 g/mol  logS: -2.46687  SlogP: 2.7207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414648  Sterimol/B1: 2.52987  Sterimol/B2: 3.48915  Sterimol/B3: 4.28179
  Sterimol/B4: 4.61343  Sterimol/L: 13.4136 
 
 Surface and Volume Properties
  Accessible surface: 403.784  Positive charged surface: 187.923  Negative charged surface: 215.861  Volume: 183.25
  Hydrophobic surface: 261.131  Hydrophilic surface: 142.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.