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DSC-ZINC02036755

 MMsINC code: MMs01221682
Type: Neutral
Formula: C9H21O4P
SMILES:   P(OCCC)(OCCC)(OCCC)=O
InChI:   InChI=1/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-15.5239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.237 g/mol  logS: -1.45288  SlogP: 2.3041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0762099  Sterimol/B1: 2.64654  Sterimol/B2: 2.92421  Sterimol/B3: 3.91168
  Sterimol/B4: 8.08012  Sterimol/L: 14.54 
 
 Surface and Volume Properties
  Accessible surface: 500.093  Positive charged surface: 359.818  Negative charged surface: 140.274  Volume: 223.75
  Hydrophobic surface: 377.256  Hydrophilic surface: 122.837
 
 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.