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PUBCHEM-ZINC01842571

 MMsINC code: MMs02822258
Type: Neutral
Formula: C9H14N5O5P
SMILES:   P(O)(O)(=O)COC(Cn1c2ncnc(N)c2nc1)CO
InChI:   InChI=1/C9H14N5O5P/c10-8-7-9(12-3-11-8)14(4-13-7)1-6(2-15)19-5-20(16,17)18/h3-4,6,15H,1-2,5H2,(H2,10,11,12)(H2,16,17,18)/t6-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.0592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.215 g/mol  logS: -0.37417  SlogP: -1.8826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.210721  Sterimol/B1: 2.55584  Sterimol/B2: 4.20946  Sterimol/B3: 5.52158
  Sterimol/B4: 6.35608  Sterimol/L: 12.2085 
 
 Surface and Volume Properties
  Accessible surface: 482.15  Positive charged surface: 346.953  Negative charged surface: 135.197  Volume: 244
  Hydrophobic surface: 158.194  Hydrophilic surface: 323.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 8  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: no related molecules available.