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PUBCHEM-ZINC06585266

 MMsINC code: MMs03809712
Type: Neutral
Formula: C10H14N6O4
SMILES:   O1C(CO)C(O)C(O)C1n1c2N=CN(N)C(=N)c2nc1
InChI:   InChI=1/C10H14N6O4/c11-8-5-9(14-3-16(8)12)15(2-13-5)10-7(19)6(18)4(1-17)20-10/h2-4,6-7,10-11,17-19H,1,12H2/b11-8-/t4-,6+,7+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.26 g/mol  logS: -0.79542  SlogP: -2.23543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508096  Sterimol/B1: 2.46672  Sterimol/B2: 3.36883  Sterimol/B3: 3.40068
  Sterimol/B4: 6.37104  Sterimol/L: 13.8764 
 
 Surface and Volume Properties
  Accessible surface: 461.609  Positive charged surface: 327.285  Negative charged surface: 134.324  Volume: 236.375
  Hydrophobic surface: 149.135  Hydrophilic surface: 312.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 8  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03809713
PUBCHEM-ZINC06585266