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IBS-ZINC05454555

 MMsINC code: MMs01949697
Type: Neutral
Formula: C11H14N4O6
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNC(CC(=O)N)C(O)=O
InChI:   InChI=1/C11H14N4O6/c1-14-8(17)5(9(18)15(2)11(14)21)4-13-6(10(19)20)3-7(12)16/h4,6,13H,3H2,1-2H3,(H2,12,16)(H,19,20)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=15.6712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.255 g/mol  logS: -0.52123  SlogP: -2.1611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144807  Sterimol/B1: 2.6722  Sterimol/B2: 3.01085  Sterimol/B3: 5.09849
  Sterimol/B4: 6.07581  Sterimol/L: 13.0841 
 
 Surface and Volume Properties
  Accessible surface: 499.788  Positive charged surface: 351.302  Negative charged surface: 148.487  Volume: 247
  Hydrophobic surface: 215.373  Hydrophilic surface: 284.415
 
 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


MMs01949698
IBS-ZINC05454555