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PUBCHEM-ZINC05131711

 MMsINC code: MMs03206582
Type: Neutral
Formula: C4H10N4O2
SMILES:   OC(=O)C(N)CN=C(N)N
InChI:   InChI=1/C4H10N4O2/c5-2(3(9)10)1-8-4(6)7/h2H,1,5H2,(H,9,10)(H4,6,7,8)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=1.74595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.15 g/mol  logS: 0.40172  SlogP: -2.3283  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0742276  Sterimol/B1: 2.47653  Sterimol/B2: 3.34994  Sterimol/B3: 3.51626
  Sterimol/B4: 3.84794  Sterimol/L: 10.5939 
 
 Surface and Volume Properties
  Accessible surface: 329.292  Positive charged surface: 241.113  Negative charged surface: 88.1794  Volume: 130
  Hydrophobic surface: 43.5202  Hydrophilic surface: 285.7718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03206583
PUBCHEM-ZINC05131711