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PUBCHEM-ZINC05481915

 MMsINC code: MMs03282067
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-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.4164 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: 0.178491  Sterimol/B1: 2.0554  Sterimol/B2: 3.6355  Sterimol/B3: 3.6501
  Sterimol/B4: 8.72166  Sterimol/L: 12.5182 
 
 Surface and Volume Properties
  Accessible surface: 475.761  Positive charged surface: 305.401  Negative charged surface: 170.361  Volume: 270.375
  Hydrophobic surface: 345.865  Hydrophilic surface: 129.896
 
 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.