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CHEMDIV-ZINC05556339

 MMsINC code: MMs00996683
Type: Neutral
Formula: C19H18ClN3O2
SMILES:   Clc1ccc(cc1)-c1nc(on1)CCC(=O)Nc1cc(ccc1C)C
InChI:   InChI=1/C19H18ClN3O2/c1-12-3-4-13(2)16(11-12)21-17(24)9-10-18-22-19(23-25-18)14-5-7-15(20)8-6-14/h3-8,11H,9-10H2,1-2H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=83.9901 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: 0.0421473  Sterimol/B1: 2.10339  Sterimol/B2: 3.81359  Sterimol/B3: 4.00948
  Sterimol/B4: 7.68421  Sterimol/L: 20.512 
 
 Surface and Volume Properties
  Accessible surface: 639.359  Positive charged surface: 341.742  Negative charged surface: 297.618  Volume: 332.375
  Hydrophobic surface: 558.856  Hydrophilic surface: 80.503
 
 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.