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AURORAFEINCHEMIE-ZINC01632456

 MMsINC code: MMs00448666
Type: Neutral
Formula: C8H19O2P
SMILES:   P(O)(=O)(CCCC)CCCC
InChI:   InChI=1/C8H19O2P/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.2728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.212 g/mol  logS: -1.10004  SlogP: 1.7868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524359  Sterimol/B1: 3.05055  Sterimol/B2: 3.20231  Sterimol/B3: 3.33604
  Sterimol/B4: 3.37474  Sterimol/L: 15.2099 
 
 Surface and Volume Properties
  Accessible surface: 425.734  Positive charged surface: 310.473  Negative charged surface: 115.261  Volume: 188.75
  Hydrophobic surface: 312.086  Hydrophilic surface: 113.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00448667
AURORAFEINCHEMIE-ZINC01632456