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PUBCHEM-ZINC00345141

 MMsINC code: MMs02660002
Type: Neutral
Formula: C15H10Cl2N4O2
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ncccn1
InChI:   InChI=1/C15H10Cl2N4O2/c1-8-11(14(22)20-15-18-6-3-7-19-15)13(21-23-8)12-9(16)4-2-5-10(12)17/h2-7H,1H3,(H,18,19,20,22)

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Potential Energy
Epot(MMFF94)=53.5179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.177 g/mol  logS: -5.68297  SlogP: 3.99912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169957  Sterimol/B1: 2.41213  Sterimol/B2: 4.50781  Sterimol/B3: 4.5474
  Sterimol/B4: 9.49588  Sterimol/L: 12.7432 
 
 Surface and Volume Properties
  Accessible surface: 539.805  Positive charged surface: 272.91  Negative charged surface: 266.896  Volume: 288.75
  Hydrophobic surface: 466.743  Hydrophilic surface: 73.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.