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NCID-ZINC05503260

 MMsINC code: MMs02469174
Type: Neutral
Formula: C19H15NO4
SMILES:   O1c2c(OC1)cc1NC3=C(CCc4cc(OC)ccc34)C(=O)c1c2
InChI:   InChI=1/C19H15NO4/c1-22-11-3-5-12-10(6-11)2-4-13-18(12)20-15-8-17-16(23-9-24-17)7-14(15)19(13)21/h3,5-8H,2,4,9H2,1H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=88.6698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.332 g/mol  logS: -4.36867  SlogP: 3.38957  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.016398  Sterimol/B1: 2.18325  Sterimol/B2: 2.84833  Sterimol/B3: 3.08984
  Sterimol/B4: 7.1129  Sterimol/L: 17.5522 
 
 Surface and Volume Properties
  Accessible surface: 536.478  Positive charged surface: 369.513  Negative charged surface: 166.965  Volume: 289.5
  Hydrophobic surface: 426.389  Hydrophilic surface: 110.089
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.