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PUBCHEM-ZINC05963234

 MMsINC code: MMs03463589
Type: Neutral
Formula: C10H15N5O4
SMILES:   O=C1N(C)C(=NC(N)=C1N=O)NC(C(C)C)C(O)=O
InChI:   InChI=1/C10H15N5O4/c1-4(2)5(9(17)18)12-10-13-7(11)6(14-19)8(16)15(10)3/h4-5H,11H2,1-3H3,(H,12,13)(H,17,18)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=52.1358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.261 g/mol  logS: -1.66751  SlogP: -0.5926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895786  Sterimol/B1: 2.37222  Sterimol/B2: 3.9098  Sterimol/B3: 4.76226
  Sterimol/B4: 5.60523  Sterimol/L: 13.6373 
 
 Surface and Volume Properties
  Accessible surface: 463.411  Positive charged surface: 300.752  Negative charged surface: 162.659  Volume: 232.125
  Hydrophobic surface: 230.042  Hydrophilic surface: 233.369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs03463590
PUBCHEM-ZINC05963234