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NANOSIN-ZINC01507396

 MMsINC code: MMs02195447
Type: Neutral
Formula: C18H12N2O4
SMILES:   O1C(=N\C(=C\c2occc2)\C1=O)c1c(noc1C)-c1ccccc1
InChI:   InChI=1/C18H12N2O4/c1-11-15(16(20-24-11)12-6-3-2-4-7-12)17-19-14(18(21)23-17)10-13-8-5-9-22-13/h2-10H,1H3/b14-10-

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Potential Energy
Epot(MMFF94)=79.2149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.304 g/mol  logS: -6.1635  SlogP: 3.58752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252862  Sterimol/B1: 2.12591  Sterimol/B2: 4.24675  Sterimol/B3: 5.89509
  Sterimol/B4: 9.63925  Sterimol/L: 13.1483 
 
 Surface and Volume Properties
  Accessible surface: 561.246  Positive charged surface: 263.481  Negative charged surface: 297.765  Volume: 292.75
  Hydrophobic surface: 464.481  Hydrophilic surface: 96.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.