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IBS-ZINC05151807

 MMsINC code: MMs01924882
Type: Neutral
Formula: C11H14N4O6
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCC(=O)NCC(O)=O
InChI:   InChI=1/C11H14N4O6/c1-14-9(19)6(10(20)15(2)11(14)21)3-12-4-7(16)13-5-8(17)18/h3,12H,4-5H2,1-2H3,(H,13,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=26.4919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.255 g/mol  logS: -0.53332  SlogP: -2.2889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0105395  Sterimol/B1: 2.50008  Sterimol/B2: 2.67307  Sterimol/B3: 2.85162
  Sterimol/B4: 6.31375  Sterimol/L: 17.4649 
 
 Surface and Volume Properties
  Accessible surface: 517.12  Positive charged surface: 366.713  Negative charged surface: 150.407  Volume: 251.875
  Hydrophobic surface: 254.489  Hydrophilic surface: 262.631
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01924883
IBS-ZINC05151807