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NCID-ZINC01678072

 MMsINC code: MMs02312949
Type: Neutral
Formula: C11H25O4P
SMILES:   P(OCCCC)(OCCCC)(=O)C(O)(C)C
InChI:   InChI=1/C11H25O4P/c1-5-7-9-14-16(13,11(3,4)12)15-10-8-6-2/h12H,5-10H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.1523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.291 g/mol  logS: -2.20762  SlogP: 2.4711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110484  Sterimol/B1: 3.01074  Sterimol/B2: 4.00113  Sterimol/B3: 4.37587
  Sterimol/B4: 8.21432  Sterimol/L: 13.6864 
 
 Surface and Volume Properties
  Accessible surface: 537.942  Positive charged surface: 388.759  Negative charged surface: 149.182  Volume: 259.625
  Hydrophobic surface: 389.251  Hydrophilic surface: 148.691
 
 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.