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ENAMINE-ZINC03354668

 MMsINC code: MMs01391882
Type: Neutral
Formula: C24H19NO3
SMILES:   o1nc(-c2ccccc2)c(C(OCc2ccc(cc2)-c2ccccc2)=O)c1C
InChI:   InChI=1/C24H19NO3/c1-17-22(23(25-28-17)21-10-6-3-7-11-21)24(26)27-16-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-15H,16H2,1H3

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Potential Energy
Epot(MMFF94)=108.403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.42 g/mol  logS: -7.31581  SlogP: 5.94042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506463  Sterimol/B1: 2.22036  Sterimol/B2: 3.06655  Sterimol/B3: 4.53635
  Sterimol/B4: 10.2515  Sterimol/L: 18.0647 
 
 Surface and Volume Properties
  Accessible surface: 651.029  Positive charged surface: 307.283  Negative charged surface: 332.769  Volume: 362.875
  Hydrophobic surface: 587.533  Hydrophilic surface: 63.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.