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MAYBRIDGE-ZINC00116523

 MMsINC code: MMs02134374
Type: Neutral
Formula: C11H10Cl2N4O
SMILES:   Clc1cc(NC(=O)Nc2n(ncc2)C)cc(Cl)c1
InChI:   InChI=1/C11H10Cl2N4O/c1-17-10(2-3-14-17)16-11(18)15-9-5-7(12)4-8(13)6-9/h2-6H,1H3,(H2,15,16,18)

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Potential Energy
Epot(MMFF94)=47.0286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.134 g/mol  logS: -3.36194  SlogP: 3.7301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0253783  Sterimol/B1: 2.4239  Sterimol/B2: 2.78539  Sterimol/B3: 3.40305
  Sterimol/B4: 6.33371  Sterimol/L: 14.6336 
 
 Surface and Volume Properties
  Accessible surface: 486.3  Positive charged surface: 246.382  Negative charged surface: 239.918  Volume: 239.25
  Hydrophobic surface: 413.388  Hydrophilic surface: 72.912
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.