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MDPI-ZINC03846548

 MMsINC code: MMs02180036
Type: Neutral
Formula: C19H16N2O4
SMILES:   O1N=C(CC1c1ccccc1O)C=1C(=O)N(c2c(cccc2)C=1O)C
InChI:   InChI=1/C19H16N2O4/c1-21-14-8-4-2-6-11(14)18(23)17(19(21)24)13-10-16(25-20-13)12-7-3-5-9-15(12)22/h2-9,16,22-23H,10H2,1H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=98.5624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.347 g/mol  logS: -3.78848  SlogP: 3.2508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501847  Sterimol/B1: 2.28702  Sterimol/B2: 3.85676  Sterimol/B3: 4.04918
  Sterimol/B4: 7.48431  Sterimol/L: 16.9435 
 
 Surface and Volume Properties
  Accessible surface: 550.587  Positive charged surface: 343.523  Negative charged surface: 207.064  Volume: 307.5
  Hydrophobic surface: 414.379  Hydrophilic surface: 136.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.