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PUBCHEM-ZINC05481916

 MMsINC code: MMs03282068
Type: Neutral
Formula: C14H23O3P
SMILES:   P(=O)(C(O)C(C)C)(C(O)C(C)C)c1ccccc1
InChI:   InChI=1/C14H23O3P/c1-10(2)13(15)18(17,14(16)11(3)4)12-8-6-5-7-9-12/h5-11,13-16H,1-4H3/t13-,14+,18-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.6799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.309 g/mol  logS: -1.744  SlogP: 1.5536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195015  Sterimol/B1: 2.12985  Sterimol/B2: 3.35473  Sterimol/B3: 3.87644
  Sterimol/B4: 8.48142  Sterimol/L: 12.6677 
 
 Surface and Volume Properties
  Accessible surface: 473.725  Positive charged surface: 305.87  Negative charged surface: 167.855  Volume: 271.875
  Hydrophobic surface: 345.717  Hydrophilic surface: 128.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.