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APOLLO-ZINC00165831

MMsINC code: MMs00047910

Type: Neutral
Formula: C18H13ClN2O3
SMILES:   Clc1ccc(cc1)C(=O)n1nc(-c2ccc(OC)cc2)c(c1)C=O
InChI:   InChI=1/C18H13ClN2O3/c1-24-16-8-4-12(5-9-16)17-14(11-22)10-21(20-17)18(23)13-2-6-15(19)7-3-13/h2-11H,1H3

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Potential Energy
Epot(MMFF94)=115.404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.766 g/mol  logS: -5.0561  SlogP: 3.7131  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0208633  Sterimol/B1: 2.53987  Sterimol/B2: 3.43623  Sterimol/B3: 4.52943
  Sterimol/B4: 7.82766  Sterimol/L: 16.7844 
 
 Surface and Volume Properties
  Accessible surface: 574.783  Positive charged surface: 286.652  Negative charged surface: 288.131  Volume: 306.125
  Hydrophobic surface: 434.952  Hydrophilic surface: 139.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.