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PUBCHEM-ZINC03606158

 MMsINC code: MMs03020288
Type: Neutral
Formula: C11H13FNO4P
SMILES:   P(OCCCc1c2cc(F)ccc2[nH]c1)(O)(O)=O
InChI:   InChI=1/C11H13FNO4P/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-17-18(14,15)16/h3-4,6-7,13H,1-2,5H2,(H2,14,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-50.8277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.2 g/mol  logS: -1.7916  SlogP: 1.27867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.05224  Sterimol/B1: 3.01565  Sterimol/B2: 3.49015  Sterimol/B3: 3.66498
  Sterimol/B4: 6.00903  Sterimol/L: 14.7983 
 
 Surface and Volume Properties
  Accessible surface: 487.468  Positive charged surface: 267.737  Negative charged surface: 215.009  Volume: 226.625
  Hydrophobic surface: 283.794  Hydrophilic surface: 203.674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03020289
PUBCHEM-ZINC03606158