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NCID-ZINC01618967

 MMsINC code: MMs02267604
Type: Neutral
Formula: C8H19O3P
SMILES:   P(OC)(OC)(=O)CCCCCC
InChI:   InChI=1/C8H19O3P/c1-4-5-6-7-8-12(9,10-2)11-3/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.16722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.211 g/mol  logS: -1.68602  SlogP: 1.9824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431505  Sterimol/B1: 3.14243  Sterimol/B2: 3.23385  Sterimol/B3: 3.80378
  Sterimol/B4: 4.01645  Sterimol/L: 14.7787 
 
 Surface and Volume Properties
  Accessible surface: 437.996  Positive charged surface: 356.673  Negative charged surface: 81.3227  Volume: 202.25
  Hydrophobic surface: 376.517  Hydrophilic surface: 61.479
 
 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.