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ASINEX-ZINC00815144

 MMsINC code: MMs00178188
Type: Neutral
Formula: C16H11Cl2N3O2
SMILES:   Clc1cc(Cl)ccc1-c1onc(c1)C(=O)NCc1ncccc1
InChI:   InChI=1/C16H11Cl2N3O2/c17-10-4-5-12(13(18)7-10)15-8-14(21-23-15)16(22)20-9-11-3-1-2-6-19-11/h1-8H,9H2,(H,20,22)

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Potential Energy
Epot(MMFF94)=72.6904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.189 g/mol  logS: -4.85672  SlogP: 4.2398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375649  Sterimol/B1: 2.72577  Sterimol/B2: 2.97079  Sterimol/B3: 4.5482
  Sterimol/B4: 5.55023  Sterimol/L: 19.4686 
 
 Surface and Volume Properties
  Accessible surface: 577.247  Positive charged surface: 269.617  Negative charged surface: 307.629  Volume: 294.25
  Hydrophobic surface: 475.685  Hydrophilic surface: 101.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.