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PUBCHEM-ZINC03165017

 MMsINC code: MMs03004034
Type: Neutral
Formula: C9H21O4P
SMILES:   P(OCC)(OCC)(=O)COCCCC
InChI:   InChI=1/C9H21O4P/c1-4-7-8-11-9-14(10,12-5-2)13-6-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.237 g/mol  logS: -1.15814  SlogP: 1.9565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560862  Sterimol/B1: 3.15574  Sterimol/B2: 3.56527  Sterimol/B3: 4.90373
  Sterimol/B4: 5.13806  Sterimol/L: 14.938 
 
 Surface and Volume Properties
  Accessible surface: 479.334  Positive charged surface: 354.307  Negative charged surface: 125.026  Volume: 225.75
  Hydrophobic surface: 363.793  Hydrophilic surface: 115.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.