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PUBCHEM-ZINC06251720

 MMsINC code: MMs03639148
Type: Neutral
Formula: C10H11N5O2
SMILES:   O=[N+]([O-])c1ccccc1\C=C\C=N\N=C(N)N
InChI:   InChI=1/C10H11N5O2/c11-10(12)14-13-7-3-5-8-4-1-2-6-9(8)15(16)17/h1-7H,(H4,11,12,14)/b5-3+,13-7+

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Potential Energy
Epot(MMFF94)=62.1344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.231 g/mol  logS: -3.21427  SlogP: 0.8672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00447454  Sterimol/B1: 2.18727  Sterimol/B2: 2.56067  Sterimol/B3: 2.76023
  Sterimol/B4: 6.77143  Sterimol/L: 15.2244 
 
 Surface and Volume Properties
  Accessible surface: 470.378  Positive charged surface: 259.886  Negative charged surface: 210.493  Volume: 211.125
  Hydrophobic surface: 212.793  Hydrophilic surface: 257.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.