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IBS-ZINC05026995

 MMsINC code: MMs01915564
Type: Neutral
Formula: C13H21N3O5
SMILES:   O=C\1N(C(C)(C)C)C(=O)NC(=O)/C/1=C\NC(CO)(CO)C
InChI:   InChI=1/C13H21N3O5/c1-12(2,3)16-10(20)8(9(19)15-11(16)21)5-14-13(4,6-17)7-18/h5,14,17-18H,6-7H2,1-4H3,(H,15,19,21)/b8-5-

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Potential Energy
Epot(MMFF94)=78.8653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.327 g/mol  logS: -1.37466  SlogP: -0.9199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108926  Sterimol/B1: 2.34366  Sterimol/B2: 3.84143  Sterimol/B3: 4.33092
  Sterimol/B4: 7.5038  Sterimol/L: 13.1374 
 
 Surface and Volume Properties
  Accessible surface: 508.813  Positive charged surface: 360.832  Negative charged surface: 147.981  Volume: 273.875
  Hydrophobic surface: 245.605  Hydrophilic surface: 263.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs01915565
IBS-ZINC05026995