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CHEMDIV-ZINC06839451

 MMsINC code: MMs01045349
Type: Neutral
Formula: C18H16N2O3
SMILES:   o1nc(c2cc(ccc12)C)CC(=O)Nc1cc(ccc1)C(=O)C
InChI:   InChI=1/C18H16N2O3/c1-11-6-7-17-15(8-11)16(20-23-17)10-18(22)19-14-5-3-4-13(9-14)12(2)21/h3-9H,10H2,1-2H3,(H,19,22)

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Potential Energy
Epot(MMFF94)=80.0663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.337 g/mol  logS: -4.84848  SlogP: 3.51999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0881254  Sterimol/B1: 2.41891  Sterimol/B2: 3.04644  Sterimol/B3: 5.83869
  Sterimol/B4: 7.10968  Sterimol/L: 14.4954 
 
 Surface and Volume Properties
  Accessible surface: 564.831  Positive charged surface: 314.726  Negative charged surface: 246.715  Volume: 295
  Hydrophobic surface: 459.61  Hydrophilic surface: 105.221
 
 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.