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KEYORGANICS-ZINC01384778

 MMsINC code: MMs02095506
Type: Neutral
Formula: C18H13Cl2N3O2
SMILES:   Clc1cc(Cl)ccc1C(=O)c1cc([nH]c1)C(=O)NNc1ccccc1
InChI:   InChI=1/C18H13Cl2N3O2/c19-12-6-7-14(15(20)9-12)17(24)11-8-16(21-10-11)18(25)23-22-13-4-2-1-3-5-13/h1-10,21-22H,(H,23,25)

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Potential Energy
Epot(MMFF94)=94.7001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.227 g/mol  logS: -5.18969  SlogP: 4.3094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0285219  Sterimol/B1: 3.06215  Sterimol/B2: 3.46346  Sterimol/B3: 4.7745
  Sterimol/B4: 6.14892  Sterimol/L: 19.6492 
 
 Surface and Volume Properties
  Accessible surface: 618.842  Positive charged surface: 248.819  Negative charged surface: 370.023  Volume: 323.75
  Hydrophobic surface: 475.523  Hydrophilic surface: 143.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.