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ASINEX-ZINC05005972

 MMsINC code: MMs00433875
Type: Neutral
Formula: C10H11N5O4
SMILES:   O(C(=O)c1ccc(cc1)\C=N\N\C(=N/[N+](=O)[O-])\N)C
InChI:   InChI=1/C10H11N5O4/c1-19-9(16)8-4-2-7(3-5-8)6-12-13-10(11)14-15(17)18/h2-6H,1H3,(H3,11,13,14)/b12-6+

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Potential Energy
Epot(MMFF94)=55.4248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.229 g/mol  logS: -3.06659  SlogP: -0.0969  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00723355  Sterimol/B1: 2.77311  Sterimol/B2: 2.94998  Sterimol/B3: 3.12951
  Sterimol/B4: 6.13811  Sterimol/L: 15.8056 
 
 Surface and Volume Properties
  Accessible surface: 497.979  Positive charged surface: 289.889  Negative charged surface: 208.09  Volume: 225.5
  Hydrophobic surface: 245.878  Hydrophilic surface: 252.101
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.