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PUBCHEM-ZINC06411137

 MMsINC code: MMs03714387
Type: Neutral
Formula: C9H15FN3O5P
SMILES:   P(OCC)(O)(=O)C(F)OCCN1C=CC(=NC1=O)N
InChI:   InChI=1/C9H15FN3O5P/c1-2-18-19(15,16)8(10)17-6-5-13-4-3-7(11)12-9(13)14/h3-4,8H,2,5-6H2,1H3,(H,15,16)(H2,11,12,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=33.2743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.207 g/mol  logS: -0.41351  SlogP: 0.1342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0621124  Sterimol/B1: 2.65314  Sterimol/B2: 2.86531  Sterimol/B3: 4.56363
  Sterimol/B4: 5.12291  Sterimol/L: 16.5759 
 
 Surface and Volume Properties
  Accessible surface: 506.129  Positive charged surface: 324.238  Negative charged surface: 181.891  Volume: 240.25
  Hydrophobic surface: 243.243  Hydrophilic surface: 262.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.