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PUBCHEM-ZINC05866832

 MMsINC code: MMs03423898
Type: Neutral
Formula: C14H23N3O4
SMILES:   O=C1N(CCCC)C(=O)NC(=O)C1/C(=N/CCCO)/CC
InChI:   InChI=1/C14H23N3O4/c1-3-5-8-17-13(20)11(12(19)16-14(17)21)10(4-2)15-7-6-9-18/h11,18H,3-9H2,1-2H3,(H,16,19,21)/b15-10+/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.355 g/mol  logS: -1.85696  SlogP: 0.7145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121936  Sterimol/B1: 3.55354  Sterimol/B2: 3.80073  Sterimol/B3: 3.99933
  Sterimol/B4: 7.5136  Sterimol/L: 13.3766 
 
 Surface and Volume Properties
  Accessible surface: 550.469  Positive charged surface: 389.941  Negative charged surface: 160.529  Volume: 287.25
  Hydrophobic surface: 321.819  Hydrophilic surface: 228.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03423899
PUBCHEM-ZINC05866832