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CHEMDIV-ZINC05577017

 MMsINC code: MMs00996787
Type: Neutral
Formula: C19H18ClN3O2
SMILES:   Clc1ccccc1-c1nc(on1)CCC(=O)Nc1cc(ccc1C)C
InChI:   InChI=1/C19H18ClN3O2/c1-12-7-8-13(2)16(11-12)21-17(24)9-10-18-22-19(23-25-18)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=90.3183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.825 g/mol  logS: -6.46579  SlogP: 4.57811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042372  Sterimol/B1: 2.10677  Sterimol/B2: 3.75253  Sterimol/B3: 4.05309
  Sterimol/B4: 7.68006  Sterimol/L: 19.3689 
 
 Surface and Volume Properties
  Accessible surface: 626.492  Positive charged surface: 349.305  Negative charged surface: 277.188  Volume: 332.625
  Hydrophobic surface: 553.146  Hydrophilic surface: 73.346
 
 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.