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MAYBRIDGE-ZINC01031412

 MMsINC code: MMs02149568
Type: Neutral
Formula: C17H12Cl2N4O2
SMILES:   Clc1cc(NC(=O)Nc2ccc(Oc3cc(Cl)cnc3)nc2)ccc1
InChI:   InChI=1/C17H12Cl2N4O2/c18-11-2-1-3-13(6-11)22-17(24)23-14-4-5-16(21-9-14)25-15-7-12(19)8-20-10-15/h1-10H,(H2,22,23,24)

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Potential Energy
Epot(MMFF94)=90.0876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.215 g/mol  logS: -4.29832  SlogP: 5.2197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313092  Sterimol/B1: 3.35415  Sterimol/B2: 3.45441  Sterimol/B3: 3.74841
  Sterimol/B4: 5.78386  Sterimol/L: 18.8244 
 
 Surface and Volume Properties
  Accessible surface: 615.702  Positive charged surface: 330.178  Negative charged surface: 285.525  Volume: 317.375
  Hydrophobic surface: 531.958  Hydrophilic surface: 83.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.