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IBS-ZINC05454559

 MMsINC code: MMs01949699
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-/m1/s1

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Potential Energy
Epot(MMFF94)=15.8823 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: 0.0877235  Sterimol/B1: 2.88489  Sterimol/B2: 3.026  Sterimol/B3: 4.30337
  Sterimol/B4: 6.18048  Sterimol/L: 12.924 
 
 Surface and Volume Properties
  Accessible surface: 496.448  Positive charged surface: 353.287  Negative charged surface: 143.161  Volume: 248.375
  Hydrophobic surface: 217.11  Hydrophilic surface: 279.338
 
 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


MMs01949700
IBS-ZINC05454559