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PUBCHEM-ZINC03105221

 MMsINC code: MMs02994447
Type: Neutral
Formula: C12H10Cl2N2O2
SMILES:   Clc1cc(NC(=O)c2c(noc2C)C)ccc1Cl
InChI:   InChI=1/C12H10Cl2N2O2/c1-6-11(7(2)18-16-6)12(17)15-8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=63.5817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.13 g/mol  logS: -4.09658  SlogP: 3.85054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0934231  Sterimol/B1: 2.15814  Sterimol/B2: 2.59981  Sterimol/B3: 4.44668
  Sterimol/B4: 7.16739  Sterimol/L: 14.1644 
 
 Surface and Volume Properties
  Accessible surface: 482.149  Positive charged surface: 191.531  Negative charged surface: 290.618  Volume: 238.375
  Hydrophobic surface: 419.031  Hydrophilic surface: 63.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.