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NCID-ZINC01656856

 MMsINC code: MMs02295122
Type: Neutral
Formula: C18H23O6P
SMILES:   P(OC)(OC)(=O)C(O)(C(O)C(OC)c1ccccc1)c1ccccc1
InChI:   InChI=1/C18H23O6P/c1-22-16(14-10-6-4-7-11-14)17(19)18(20,25(21,23-2)24-3)15-12-8-5-9-13-15/h4-13,16-17,19-20H,1-3H3/t16-,17-,18+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.35 g/mol  logS: -2.9407  SlogP: 2.403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.480474  Sterimol/B1: 2.41743  Sterimol/B2: 4.61869  Sterimol/B3: 5.99586
  Sterimol/B4: 7.98066  Sterimol/L: 12.5016 
 
 Surface and Volume Properties
  Accessible surface: 576.562  Positive charged surface: 396.342  Negative charged surface: 180.22  Volume: 336.125
  Hydrophobic surface: 523.79  Hydrophilic surface: 52.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02295123
NCID-ZINC01656856