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PUBCHEM-ZINC06049643

 MMsINC code: MMs03514246
Type: Neutral
Formula: C19H21N3O6
SMILES:   O=C1N(C)C(=O)N(CC(C)C)C(N)=C1C(=O)COC(=O)c1ccc(cc1)C=O
InChI:   InChI=1/C19H21N3O6/c1-11(2)8-22-16(20)15(17(25)21(3)19(22)27)14(24)10-28-18(26)13-6-4-12(9-23)5-7-13/h4-7,9,11H,8,10,20H2,1-3H3

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Potential Energy
Epot(MMFF94)=55.3776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.392 g/mol  logS: -3.50106  SlogP: 0.9453  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0220566  Sterimol/B1: 2.46265  Sterimol/B2: 4.21976  Sterimol/B3: 4.58271
  Sterimol/B4: 5.9594  Sterimol/L: 19.6815 
 
 Surface and Volume Properties
  Accessible surface: 629.596  Positive charged surface: 419.911  Negative charged surface: 209.685  Volume: 349.375
  Hydrophobic surface: 379.729  Hydrophilic surface: 249.867
 
 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.