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NCID-ZINC05606977

 MMsINC code: MMs02479870
Type: Neutral
Formula: C10H13N3O5
SMILES:   O(C)c1ccc(N=NC([N+](=O)[O-])(CO)CO)cc1
InChI:   InChI=1/C10H13N3O5/c1-18-9-4-2-8(3-5-9)11-12-10(6-14,7-15)13(16)17/h2-5,14-15H,6-7H2,1H3/b12-11+

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Potential Energy
Epot(MMFF94)=75.0234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.23 g/mol  logS: -1.91579  SlogP: 0.7365  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0793246  Sterimol/B1: 2.47761  Sterimol/B2: 4.07021  Sterimol/B3: 4.55504
  Sterimol/B4: 5.31222  Sterimol/L: 14.5888 
 
 Surface and Volume Properties
  Accessible surface: 474.303  Positive charged surface: 302.503  Negative charged surface: 171.8  Volume: 222.5
  Hydrophobic surface: 303.03  Hydrophilic surface: 171.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs02479871
NCID-ZINC05606977