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NCID-ZINC01735297

 MMsINC code: MMs02357382
Type: Neutral
Formula: C13H29O4P
SMILES:   P(OC(CCC)C)(OC(CC)C)(OC(CC)C)=O
InChI:   InChI=1/C13H29O4P/c1-7-10-13(6)17-18(14,15-11(4)8-2)16-12(5)9-3/h11-13H,7-10H2,1-6H3/t11-,12-,13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.0776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.345 g/mol  logS: -2.94973  SlogP: 3.8597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254963  Sterimol/B1: 3.467  Sterimol/B2: 3.66293  Sterimol/B3: 5.58882
  Sterimol/B4: 6.60592  Sterimol/L: 12.9914 
 
 Surface and Volume Properties
  Accessible surface: 539.479  Positive charged surface: 389.397  Negative charged surface: 150.082  Volume: 297
  Hydrophobic surface: 406.524  Hydrophilic surface: 132.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.