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PUBCHEM-ZINC00483931

 MMsINC code: MMs02691201
Type: Neutral
Formula: C17H15N3O4
SMILES:   o1cccc1CNC(=O)c1ccc(nc1)C(=O)NCc1occc1
InChI:   InChI=1/C17H15N3O4/c21-16(19-10-13-3-1-7-23-13)12-5-6-15(18-9-12)17(22)20-11-14-4-2-8-24-14/h1-9H,10-11H2,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=53.7738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.324 g/mol  logS: -3.61086  SlogP: 2.6604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0306923  Sterimol/B1: 2.33197  Sterimol/B2: 2.98662  Sterimol/B3: 3.92493
  Sterimol/B4: 8.34833  Sterimol/L: 16.4126 
 
 Surface and Volume Properties
  Accessible surface: 602.801  Positive charged surface: 328.785  Negative charged surface: 274.016  Volume: 300.25
  Hydrophobic surface: 457.176  Hydrophilic surface: 145.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.