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CHEMSTAR-ZINC00243959

 MMsINC code: MMs01074001
Type: Neutral
Formula: C10H10N4O3
SMILES:   O=C(NN)c1[nH]c2c(cc([N+](=O)[O-])cc2)c1C
InChI:   InChI=1/C10H10N4O3/c1-5-7-4-6(14(16)17)2-3-8(7)12-9(5)10(15)13-11/h2-4,12H,11H2,1H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=73.0407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.215 g/mol  logS: -3.01045  SlogP: 0.98802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00807155  Sterimol/B1: 1.9707  Sterimol/B2: 2.11004  Sterimol/B3: 2.51071
  Sterimol/B4: 6.98655  Sterimol/L: 14.374 
 
 Surface and Volume Properties
  Accessible surface: 419.242  Positive charged surface: 205.484  Negative charged surface: 208.356  Volume: 200.625
  Hydrophobic surface: 190.934  Hydrophilic surface: 228.308
 
 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.