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AURORAFEINCHEMIE-ZINC01445002

 MMsINC code: MMs00448455
Type: Neutral
Formula: C10H23O3P
SMILES:   P(OC(C)(C)C)(OC(C)(C)C)OCC
InChI:   InChI=1/C10H23O3P/c1-8-11-14(12-9(2,3)4)13-10(5,6)7/h8H2,1-7H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.3576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.265 g/mol  logS: -2.30589  SlogP: 3.88  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.190993  Sterimol/B1: 2.44735  Sterimol/B2: 3.22745  Sterimol/B3: 3.88274
  Sterimol/B4: 8.69514  Sterimol/L: 11.2247 
 
 Surface and Volume Properties
  Accessible surface: 463.328  Positive charged surface: 333.107  Negative charged surface: 130.221  Volume: 237.125
  Hydrophobic surface: 330.181  Hydrophilic surface: 133.147
 
 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.