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NCID-ZINC01678069

 MMsINC code: MMs02312946
Type: Neutral
Formula: C9H21O4P
SMILES:   P(OCCCC)(OCCCC)(=O)CO
InChI:   InChI=1/C9H21O4P/c1-3-5-7-12-14(11,9-10)13-8-6-4-2/h10H,3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.1899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.237 g/mol  logS: -1.20274  SlogP: 1.6925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0854189  Sterimol/B1: 2.49621  Sterimol/B2: 2.79213  Sterimol/B3: 4.33828
  Sterimol/B4: 8.2324  Sterimol/L: 13.8249 
 
 Surface and Volume Properties
  Accessible surface: 497.033  Positive charged surface: 373.826  Negative charged surface: 123.207  Volume: 223.5
  Hydrophobic surface: 360.024  Hydrophilic surface: 137.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.