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CHEMDIV-ZINC03907744

 MMsINC code: MMs00919802
Type: Neutral
Formula: C19H16N2O3
SMILES:   o1nc(cc1-c1ccc(O)cc1)C(=O)N1CCCc2c1cccc2
InChI:   InChI=1/C19H16N2O3/c22-15-9-7-14(8-10-15)18-12-16(20-24-18)19(23)21-11-3-5-13-4-1-2-6-17(13)21/h1-2,4,6-10,12,22H,3,5,11H2

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Potential Energy
Epot(MMFF94)=116.052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.348 g/mol  logS: -4.46702  SlogP: 3.64017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0138455  Sterimol/B1: 2.64862  Sterimol/B2: 3.30358  Sterimol/B3: 3.3462
  Sterimol/B4: 6.38873  Sterimol/L: 18.2348 
 
 Surface and Volume Properties
  Accessible surface: 558.218  Positive charged surface: 328.18  Negative charged surface: 230.037  Volume: 299.5
  Hydrophobic surface: 460.538  Hydrophilic surface: 97.68
 
 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.