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MDPI-ZINC03844370

 MMsINC code: MMs02177633
Type: Neutral
Formula: C17H25N3O7
SMILES:   O=C1N(C)C(=O)N(C)C(C)=C1C(CC(=O)NCC(OCC)=O)C(OCC)=O
InChI:   InChI=1/C17H25N3O7/c1-6-26-13(22)9-18-12(21)8-11(16(24)27-7-2)14-10(3)19(4)17(25)20(5)15(14)23/h11H,6-9H2,1-5H3,(H,18,21)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=32.454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.401 g/mol  logS: -1.79855  SlogP: 0.0329  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114159  Sterimol/B1: 4.46419  Sterimol/B2: 4.57494  Sterimol/B3: 5.18671
  Sterimol/B4: 7.27497  Sterimol/L: 18.393 
 
 Surface and Volume Properties
  Accessible surface: 681.299  Positive charged surface: 508.529  Negative charged surface: 172.77  Volume: 352.75
  Hydrophobic surface: 476.278  Hydrophilic surface: 205.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.