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NCID-ZINC01575954

 MMsINC code: MMs02234566
Type: Neutral
Formula: C10H23O5P
SMILES:   P(OC(C)C)(OCCOCCOCC)(=O)C
InChI:   InChI=1/C10H23O5P/c1-5-12-6-7-13-8-9-14-16(4,11)15-10(2)3/h10H,5-9H2,1-4H3/t16-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.1129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.263 g/mol  logS: -0.87829  SlogP: 1.2338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151916  Sterimol/B1: 2.10504  Sterimol/B2: 4.04545  Sterimol/B3: 4.37104
  Sterimol/B4: 6.85455  Sterimol/L: 13.3756 
 
 Surface and Volume Properties
  Accessible surface: 535.577  Positive charged surface: 411.092  Negative charged surface: 124.485  Volume: 252.75
  Hydrophobic surface: 409.967  Hydrophilic surface: 125.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.