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NCID-ZINC05487615

 MMsINC code: MMs02465707
Type: Neutral
Formula: C18H16N2O4
SMILES:   O1C2=Nc3c(NC2C(=O)C1c1cc(OC)cc(OC)c1)cccc3
InChI:   InChI=1/C18H16N2O4/c1-22-11-7-10(8-12(9-11)23-2)17-16(21)15-18(24-17)20-14-6-4-3-5-13(14)19-15/h3-9,15,17,19H,1-2H3/t15-,17+/m0/s1

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Potential Energy
Epot(MMFF94)=129.253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.336 g/mol  logS: -4.21149  SlogP: 2.964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0786574  Sterimol/B1: 3.26566  Sterimol/B2: 4.34558  Sterimol/B3: 4.46764
  Sterimol/B4: 6.01181  Sterimol/L: 15.9534 
 
 Surface and Volume Properties
  Accessible surface: 554.4  Positive charged surface: 370.225  Negative charged surface: 184.174  Volume: 295.75
  Hydrophobic surface: 440.874  Hydrophilic surface: 113.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.