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CHEMDIV-ZINC06768142

 MMsINC code: MMs01017645
Type: Neutral
Formula: C17H16ClN3O2
SMILES:   Clc1cc2n(ncc2cc1)CC(=O)NCc1ccccc1OC
InChI:   InChI=1/C17H16ClN3O2/c1-23-16-5-3-2-4-13(16)9-19-17(22)11-21-15-8-14(18)7-6-12(15)10-20-21/h2-8,10H,9,11H2,1H3,(H,19,22)

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Potential Energy
Epot(MMFF94)=63.8564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.787 g/mol  logS: -4.28675  SlogP: 3.5475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0343976  Sterimol/B1: 2.90588  Sterimol/B2: 3.17361  Sterimol/B3: 3.30621
  Sterimol/B4: 7.30673  Sterimol/L: 16.6453 
 
 Surface and Volume Properties
  Accessible surface: 590.678  Positive charged surface: 355.983  Negative charged surface: 229.021  Volume: 303.75
  Hydrophobic surface: 526.509  Hydrophilic surface: 64.169
 
 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.