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IBS-ZINC04816187

 MMsINC code: MMs01898236
Type: Neutral
Formula: C13H19N3O5
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCCCCCC(O)=O
InChI:   InChI=1/C13H19N3O5/c1-15-11(19)9(12(20)16(2)13(15)21)8-14-7-5-3-4-6-10(17)18/h8,14H,3-7H2,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=-4.84787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.311 g/mol  logS: -0.84798  SlogP: 0.1553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132405  Sterimol/B1: 2.44219  Sterimol/B2: 2.68266  Sterimol/B3: 2.88897
  Sterimol/B4: 6.2814  Sterimol/L: 18.7215 
 
 Surface and Volume Properties
  Accessible surface: 550.728  Positive charged surface: 407.633  Negative charged surface: 143.094  Volume: 273.5
  Hydrophobic surface: 345.879  Hydrophilic surface: 204.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs01898237
IBS-ZINC04816187