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MAYBRIDGE-ZINC04336385

 MMsINC code: MMs02168649
Type: Neutral
Formula: C6H14N4O4
SMILES:   O1CC(O)C(O)C(O)C1NN=C(N)N
InChI:   InChI=1/C6H14N4O4/c7-6(8)10-9-5-4(13)3(12)2(11)1-14-5/h2-5,9,11-13H,1H2,(H4,7,8,10)/t2-,3-,4+,5+/m0/s1

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Potential Energy
Epot(MMFF94)=48.1215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.202 g/mol  logS: 0.82704  SlogP: -3.7966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103722  Sterimol/B1: 2.3377  Sterimol/B2: 3.14306  Sterimol/B3: 3.47158
  Sterimol/B4: 5.59611  Sterimol/L: 12.3889 
 
 Surface and Volume Properties
  Accessible surface: 399.855  Positive charged surface: 305.408  Negative charged surface: 94.4473  Volume: 176.75
  Hydrophobic surface: 103.702  Hydrophilic surface: 296.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.