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ENAMINE-ZINC02641298

 MMsINC code: MMs01269262
Type: Neutral
Formula: C18H19N5O5
SMILES:   O(C)c1c(OC)cc(NC(=O)COc2ccc(-n3nnnc3)cc2)cc1OC
InChI:   InChI=1/C18H19N5O5/c1-25-15-8-12(9-16(26-2)18(15)27-3)20-17(24)10-28-14-6-4-13(5-7-14)23-11-19-21-22-23/h4-9,11H,10H2,1-3H3,(H,20,24)

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Potential Energy
Epot(MMFF94)=140.379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.38 g/mol  logS: -3.25128  SlogP: 1.7056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175337  Sterimol/B1: 2.49419  Sterimol/B2: 2.68852  Sterimol/B3: 3.21992
  Sterimol/B4: 9.00446  Sterimol/L: 21.2681 
 
 Surface and Volume Properties
  Accessible surface: 662.662  Positive charged surface: 448.738  Negative charged surface: 179.412  Volume: 347.25
  Hydrophobic surface: 542.156  Hydrophilic surface: 120.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 8  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.