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ENAMINE-ZINC03499795

 MMsINC code: MMs01476176
Type: Neutral
Formula: C18H21N3O5
SMILES:   O(C(=O)c1c(n(nc1C)Cc1ccccc1)C)CC(=O)NC(OCC)=O
InChI:   InChI=1/C18H21N3O5/c1-4-25-18(24)19-15(22)11-26-17(23)16-12(2)20-21(13(16)3)10-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,19,22,24)

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Potential Energy
Epot(MMFF94)=67.0702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.382 g/mol  logS: -3.45525  SlogP: 2.24414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0776563  Sterimol/B1: 4.17497  Sterimol/B2: 4.67327  Sterimol/B3: 4.70278
  Sterimol/B4: 6.50343  Sterimol/L: 18.6002 
 
 Surface and Volume Properties
  Accessible surface: 664.282  Positive charged surface: 416.341  Negative charged surface: 247.94  Volume: 339.25
  Hydrophobic surface: 482.02  Hydrophilic surface: 182.262
 
 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.