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PUBCHEM-ZINC01851803

 MMsINC code: MMs02826048
Type: Neutral
Formula: C11H23O4P
SMILES:   P1(OC(CC1(O)C)(C)C)(OCCCCC)=O
InChI:   InChI=1/C11H23O4P/c1-5-6-7-8-14-16(13)11(4,12)9-10(2,3)15-16/h12H,5-9H2,1-4H3/t11-,16+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.2889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.275 g/mol  logS: -2.35646  SlogP: 2.2235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775541  Sterimol/B1: 3.55628  Sterimol/B2: 3.6802  Sterimol/B3: 4.36083
  Sterimol/B4: 5.11284  Sterimol/L: 14.3934 
 
 Surface and Volume Properties
  Accessible surface: 493.455  Positive charged surface: 354.874  Negative charged surface: 138.581  Volume: 246
  Hydrophobic surface: 350.092  Hydrophilic surface: 143.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.