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NCID-ZINC04974706

 MMsINC code: MMs02422746
Type: Neutral
Formula: C6H11N3O5
SMILES:   O(C(=O)CN(N=O)C)CC(N)C(O)=O
InChI:   InChI=1/C6H11N3O5/c1-9(8-13)2-5(10)14-3-4(7)6(11)12/h4H,2-3,7H2,1H3,(H,11,12)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=54.7449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.17 g/mol  logS: 0.1138  SlogP: -1.4453  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0753736  Sterimol/B1: 2.38213  Sterimol/B2: 3.37985  Sterimol/B3: 3.90801
  Sterimol/B4: 4.32346  Sterimol/L: 12.9965 
 
 Surface and Volume Properties
  Accessible surface: 404.515  Positive charged surface: 259.432  Negative charged surface: 145.083  Volume: 172.875
  Hydrophobic surface: 223.723  Hydrophilic surface: 180.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.