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PUBCHEM-ZINC05162231

 MMsINC code: MMs03217705
Type: Neutral
Formula: C10H14NO7P
SMILES:   P(OC(COC(=O)c1ccccc1N)CO)(O)(O)=O
InChI:   InChI=1/C10H14NO7P/c11-9-4-2-1-3-8(9)10(13)17-6-7(5-12)18-19(14,15)16/h1-4,7,12H,5-6,11H2,(H2,14,15,16)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.18972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.196 g/mol  logS: -0.86999  SlogP: -1.1744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151605  Sterimol/B1: 2.5519  Sterimol/B2: 3.63753  Sterimol/B3: 4.95261
  Sterimol/B4: 6.06328  Sterimol/L: 14.2561 
 
 Surface and Volume Properties
  Accessible surface: 495.339  Positive charged surface: 310.706  Negative charged surface: 184.633  Volume: 236.625
  Hydrophobic surface: 241.559  Hydrophilic surface: 253.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs03217706
PUBCHEM-ZINC05162231