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NCID-ZINC05743012

 MMsINC code: MMs02493832
Type: Neutral
Formula: C12H27O3P
SMILES:   P(OC(CC)C)(OC(CC)C)OC(CC)C
InChI:   InChI=1/C12H27O3P/c1-7-10(4)13-16(14-11(5)8-2)15-12(6)9-3/h10-12H,7-9H2,1-6H3/t10-,11-,12+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.4816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.319 g/mol  logS: -2.58399  SlogP: 4.6586  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.158897  Sterimol/B1: 2.52101  Sterimol/B2: 3.69002  Sterimol/B3: 4.77377
  Sterimol/B4: 8.05857  Sterimol/L: 11.8442 
 
 Surface and Volume Properties
  Accessible surface: 501.562  Positive charged surface: 370.444  Negative charged surface: 131.118  Volume: 273
  Hydrophobic surface: 383.22  Hydrophilic surface: 118.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.