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PUBCHEM-ZINC05673166

 MMsINC code: MMs03342948
Type: Neutral
Formula: C12H19O4P
SMILES:   P(OCC)(OCC)(=O)C(O)Cc1ccccc1
InChI:   InChI=1/C12H19O4P/c1-3-15-17(14,16-4-2)12(13)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.2779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.254 g/mol  logS: -1.77336  SlogP: 1.74337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906065  Sterimol/B1: 2.10416  Sterimol/B2: 3.46087  Sterimol/B3: 3.81433
  Sterimol/B4: 8.19973  Sterimol/L: 14.702 
 
 Surface and Volume Properties
  Accessible surface: 510.484  Positive charged surface: 328.722  Negative charged surface: 181.762  Volume: 249.125
  Hydrophobic surface: 399.109  Hydrophilic surface: 111.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.