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NCID-ZINC04972939

 MMsINC code: MMs02421712
Type: Neutral
Formula: C4H4N4O4
SMILES:   O=C(NO)c1[nH]cnc1[N+](=O)[O-]
InChI:   InChI=1/C4H4N4O4/c9-4(7-10)2-3(8(11)12)6-1-5-2/h1,10H,(H,5,6)(H,7,9)

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Potential Energy
Epot(MMFF94)=72.8192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.1 g/mol  logS: -1.29902  SlogP: -0.5631  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.38541e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09805  Sterimol/B3: 2.46559
  Sterimol/B4: 6.23472  Sterimol/L: 10.3303 
 
 Surface and Volume Properties
  Accessible surface: 311.517  Positive charged surface: 163.347  Negative charged surface: 148.17  Volume: 124.375
  Hydrophobic surface: 60.5402  Hydrophilic surface: 250.9768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.