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OAKWOOD-ZINC04243576

 MMsINC code: MMs02548762
Type: Neutral
Formula: C15H20N6O5
SMILES:   O(C(C)(C)C)C(=O)Nc1nc(n(c1)C)C(=O)Nc1nc(n(c1)C)C(O)=O
InChI:   InChI=1/C15H20N6O5/c1-15(2,3)26-14(25)19-9-7-20(4)10(16-9)12(22)18-8-6-21(5)11(17-8)13(23)24/h6-7H,1-5H3,(H,18,22)(H,19,25)(H,23,24)

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Potential Energy
Epot(MMFF94)=38.4129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.362 g/mol  logS: -1.86743  SlogP: 2.1695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017467  Sterimol/B1: 2.37498  Sterimol/B2: 4.87425  Sterimol/B3: 5.02487
  Sterimol/B4: 5.45141  Sterimol/L: 19.9678 
 
 Surface and Volume Properties
  Accessible surface: 632.2  Positive charged surface: 454.113  Negative charged surface: 178.087  Volume: 324.875
  Hydrophobic surface: 315.89  Hydrophilic surface: 316.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02548763
OAKWOOD-ZINC04243576