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IFLAB-ZINC04276185

 MMsINC code: MMs02034809
Type: Neutral
Formula: C19H14N4O4
SMILES:   o1c(nnc1NC(=O)c1cc(N2C(=O)CCC2=O)ccc1)-c1ccccc1
InChI:   InChI=1/C19H14N4O4/c24-15-9-10-16(25)23(15)14-8-4-7-13(11-14)17(26)20-19-22-21-18(27-19)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,22,26)

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Potential Energy
Epot(MMFF94)=78.5873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.345 g/mol  logS: -6.31973  SlogP: 2.6423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0135052  Sterimol/B1: 3.74892  Sterimol/B2: 3.79914  Sterimol/B3: 3.98978
  Sterimol/B4: 5.38273  Sterimol/L: 20.6155 
 
 Surface and Volume Properties
  Accessible surface: 618.594  Positive charged surface: 323.681  Negative charged surface: 294.912  Volume: 320
  Hydrophobic surface: 417.715  Hydrophilic surface: 200.879
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.