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IBS-ZINC00251633

 MMsINC code: MMs01733753
Type: Neutral
Formula: C6H7N3O2
SMILES:   O=C(NN)c1cc([O-])c[nH+]c1
InChI:   InChI=1/C6H7N3O2/c7-9-6(11)4-1-5(10)3-8-2-4/h1-3,10H,7H2,(H,9,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.5563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.141 g/mol  logS: -0.2329  SlogP: -0.752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00451677  Sterimol/B1: 2.12194  Sterimol/B2: 2.20775  Sterimol/B3: 2.67082
  Sterimol/B4: 4.91113  Sterimol/L: 11.1813 
 
 Surface and Volume Properties
  Accessible surface: 318.677  Positive charged surface: 201.825  Negative charged surface: 116.853  Volume: 132
  Hydrophobic surface: 82.4544  Hydrophilic surface: 236.2226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 1  Basic groups: 1
  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.