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ENAMINE-ZINC03247320

 MMsINC code: MMs01328606
Type: Neutral
Formula: C19H17N3O5
SMILES:   O=C1N(C)C(=O)N(C)C(N)=C1C(=O)COC(=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C19H17N3O5/c1-21-16(20)15(17(24)22(2)19(21)26)14(23)10-27-18(25)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10,20H2,1-2H3

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Potential Energy
Epot(MMFF94)=67.3851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.361 g/mol  logS: -4.64208  SlogP: 1.2598  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00638006  Sterimol/B1: 2.53956  Sterimol/B2: 2.98838  Sterimol/B3: 3.65064
  Sterimol/B4: 6.57954  Sterimol/L: 18.1378 
 
 Surface and Volume Properties
  Accessible surface: 597.671  Positive charged surface: 389.852  Negative charged surface: 196.879  Volume: 326.75
  Hydrophobic surface: 431.103  Hydrophilic surface: 166.568
 
 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.