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ASINEX-ZINC03877758

 MMsINC code: MMs00291120
Type: Neutral
Formula: C10H13N3O6
SMILES:   OCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(CO)C
InChI:   InChI=1/C10H13N3O6/c1-10(5-14,6-15)11-8-3-2-7(12(16)17)4-9(8)13(18)19/h2-4,11,14-15H,5-6H2,1H3

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Potential Energy
Epot(MMFF94)=145.951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.229 g/mol  logS: -2.68393  SlogP: 0.6582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129823  Sterimol/B1: 2.3391  Sterimol/B2: 3.13699  Sterimol/B3: 5.78388
  Sterimol/B4: 6.23342  Sterimol/L: 13.7413 
 
 Surface and Volume Properties
  Accessible surface: 450.331  Positive charged surface: 226.403  Negative charged surface: 223.928  Volume: 219.75
  Hydrophobic surface: 186.788  Hydrophilic surface: 263.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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: no related molecules available.