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PUBCHEM-ZINC06205598

 MMsINC code: MMs03613321
Type: Neutral
Formula: C17H19N3O5
SMILES:   O=C1N(C)C(=O)N(C)C(NC(=O)COC(=O)c2cc(C)c(cc2)C)=C1
InChI:   InChI=1/C17H19N3O5/c1-10-5-6-12(7-11(10)2)16(23)25-9-14(21)18-13-8-15(22)20(4)17(24)19(13)3/h5-8H,9H2,1-4H3,(H,18,21)

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Potential Energy
Epot(MMFF94)=59.0954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.355 g/mol  logS: -3.85231  SlogP: 0.94164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350836  Sterimol/B1: 2.28698  Sterimol/B2: 3.39062  Sterimol/B3: 4.59503
  Sterimol/B4: 6.2311  Sterimol/L: 18.7948 
 
 Surface and Volume Properties
  Accessible surface: 603.266  Positive charged surface: 398.369  Negative charged surface: 204.897  Volume: 317.625
  Hydrophobic surface: 443.27  Hydrophilic surface: 159.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.