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ENAMINE-ZINC03297267

 MMsINC code: MMs01356639
Type: Neutral
Formula: C19H23N3O5
SMILES:   O=C1N(C)C(=O)N(C)C(N)=C1C(=O)COC(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C19H23N3O5/c1-19(2,3)12-8-6-11(7-9-12)17(25)27-10-13(23)14-15(20)21(4)18(26)22(5)16(14)24/h6-9H,10,20H2,1-5H3

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Potential Energy
Epot(MMFF94)=65.2333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.409 g/mol  logS: -4.78378  SlogP: 1.4041  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0172764  Sterimol/B1: 2.40238  Sterimol/B2: 4.36535  Sterimol/B3: 4.8358
  Sterimol/B4: 4.92763  Sterimol/L: 19.0932 
 
 Surface and Volume Properties
  Accessible surface: 633.379  Positive charged surface: 440.583  Negative charged surface: 192.796  Volume: 348.25
  Hydrophobic surface: 408.129  Hydrophilic surface: 225.25
 
 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.