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PUBCHEM-ZINC06578887

 MMsINC code: MMs03806285
Type: Neutral
Formula: C7H11NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)(N)c1ccccc1
InChI:   InChI=1/C7H11NO6P2/c8-7(15(9,10)11,16(12,13)14)6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=14.2067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.114 g/mol  logS: 0.17732  SlogP: -1.7179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.289323  Sterimol/B1: 3.7776  Sterimol/B2: 3.80633  Sterimol/B3: 3.92325
  Sterimol/B4: 5.64921  Sterimol/L: 11.1077 
 
 Surface and Volume Properties
  Accessible surface: 401.908  Positive charged surface: 211.144  Negative charged surface: 190.763  Volume: 201.125
  Hydrophobic surface: 147.821  Hydrophilic surface: 254.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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.