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PUBCHEM-ZINC05498508

 MMsINC code: MMs03287466
Type: Neutral
Formula: C14H23O5P
SMILES:   P(OC)(OC)(=O)c1c(C(C)C)c(O)c(cc1O)C(C)C
InChI:   InChI=1/C14H23O5P/c1-8(2)10-7-11(15)14(20(17,18-5)19-6)12(9(3)4)13(10)16/h7-9,15-16H,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.3041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.307 g/mol  logS: -3.09316  SlogP: 2.3856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112924  Sterimol/B1: 2.77641  Sterimol/B2: 4.25909  Sterimol/B3: 4.82276
  Sterimol/B4: 6.04465  Sterimol/L: 13.4 
 
 Surface and Volume Properties
  Accessible surface: 516.487  Positive charged surface: 385.882  Negative charged surface: 130.605  Volume: 288.125
  Hydrophobic surface: 357.965  Hydrophilic surface: 158.522
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.