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PUBCHEM-ZINC05476094

 MMsINC code: MMs03280060
Type: Neutral
Formula: C19H17N3O4
SMILES:   o1c(ncc1OCC)C(=O)NNC(=O)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C19H17N3O4/c1-2-25-16-12-20-19(26-16)18(24)22-21-17(23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=111.515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.362 g/mol  logS: -5.34498  SlogP: 2.8151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00201346  Sterimol/B1: 2.37494  Sterimol/B2: 2.37494  Sterimol/B3: 3.21619
  Sterimol/B4: 5.93594  Sterimol/L: 22.507 
 
 Surface and Volume Properties
  Accessible surface: 638.281  Positive charged surface: 374.431  Negative charged surface: 252.489  Volume: 327.75
  Hydrophobic surface: 458.134  Hydrophilic surface: 180.147
 
 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.