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MAYBRIDGE-ZINC00170334

 MMsINC code: MMs02145867
Type: Neutral
Formula: C15H18Cl2N4O
SMILES:   Clc1cc(NC(=O)Nc2n(nc(c2)C(C)(C)C)C)cc(Cl)c1
InChI:   InChI=1/C15H18Cl2N4O/c1-15(2,3)12-8-13(21(4)20-12)19-14(22)18-11-6-9(16)5-10(17)7-11/h5-8H,1-4H3,(H2,18,19,22)

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Potential Energy
Epot(MMFF94)=60.6542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.242 g/mol  logS: -4.28064  SlogP: 5.0276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541329  Sterimol/B1: 2.34377  Sterimol/B2: 3.57537  Sterimol/B3: 4.87076
  Sterimol/B4: 7.44743  Sterimol/L: 16.7206 
 
 Surface and Volume Properties
  Accessible surface: 589.799  Positive charged surface: 318.575  Negative charged surface: 271.224  Volume: 307.375
  Hydrophobic surface: 476.965  Hydrophilic surface: 112.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.