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PUBCHEM-ZINC06007298

 MMsINC code: MMs03485539
Type: Neutral
Formula: C10H12N6O
SMILES:   O(C)c1cc(N=Nc2c(n[nH]c2N)N)ccc1
InChI:   InChI=1/C10H12N6O/c1-17-7-4-2-3-6(5-7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+

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Potential Energy
Epot(MMFF94)=64.3016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.247 g/mol  logS: -1.82838  SlogP: 1.9981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00404385  Sterimol/B1: 2.37362  Sterimol/B2: 2.37647  Sterimol/B3: 4.18733
  Sterimol/B4: 5.07768  Sterimol/L: 14.9699 
 
 Surface and Volume Properties
  Accessible surface: 450.72  Positive charged surface: 303.461  Negative charged surface: 147.259  Volume: 212.625
  Hydrophobic surface: 258.896  Hydrophilic surface: 191.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.