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PUBCHEM-ZINC01995271

 MMsINC code: MMs02838507
Type: Neutral
Formula: C12H27O3P
SMILES:   P(OCC(C)C)(OCC(C)C)OCC(C)C
InChI:   InChI=1/C12H27O3P/c1-10(2)7-13-16(14-8-11(3)4)15-9-12(5)6/h10-12H,7-9H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.8778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.319 g/mol  logS: -2.20767  SlogP: 4.2311  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0625408  Sterimol/B1: 2.49835  Sterimol/B2: 2.56232  Sterimol/B3: 3.44234
  Sterimol/B4: 10.1103  Sterimol/L: 13.9096 
 
 Surface and Volume Properties
  Accessible surface: 562.007  Positive charged surface: 425.709  Negative charged surface: 136.298  Volume: 272.375
  Hydrophobic surface: 411.626  Hydrophilic surface: 150.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.