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PUBCHEM-ZINC06383100

 MMsINC code: MMs03698572
Type: Neutral
Formula: C16H8Cl2N2O2
SMILES:   ClC(Cl)c1[nH]nc2c3c(ccc12)C(=O)c1c(cccc1)C3=O
InChI:   InChI=1/C16H8Cl2N2O2/c17-16(18)13-10-6-5-9-11(12(10)19-20-13)15(22)8-4-2-1-3-7(8)14(9)21/h1-6,16H,(H,19,20)

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Potential Energy
Epot(MMFF94)=85.7131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.158 g/mol  logS: -5.70549  SlogP: 3.91  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00632091  Sterimol/B1: 2.62141  Sterimol/B2: 2.78453  Sterimol/B3: 4.28361
  Sterimol/B4: 4.44654  Sterimol/L: 15.8212 
 
 Surface and Volume Properties
  Accessible surface: 497.959  Positive charged surface: 201.171  Negative charged surface: 291.503  Volume: 268.375
  Hydrophobic surface: 252.002  Hydrophilic surface: 245.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.