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PUBCHEM-ZINC01644824

 MMsINC code: MMs02817543
Type: Neutral
Formula: C8H14N3O4PS
SMILES:   S(C)c1nc(N)c(cn1)COP(OC)(OC)=O
InChI:   InChI=1/C8H14N3O4PS/c1-13-16(12,14-2)15-5-6-4-10-8(17-3)11-7(6)9/h4H,5H2,1-3H3,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-17.7134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.257 g/mol  logS: -2.19198  SlogP: 0.8944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0970844  Sterimol/B1: 2.17393  Sterimol/B2: 4.63669  Sterimol/B3: 4.74255
  Sterimol/B4: 5.65921  Sterimol/L: 14.4591 
 
 Surface and Volume Properties
  Accessible surface: 492.996  Positive charged surface: 344.608  Negative charged surface: 148.388  Volume: 232.5
  Hydrophobic surface: 298.267  Hydrophilic surface: 194.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.