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NCID-ZINC05064322

 MMsINC code: MMs02435712
Type: Neutral
Formula: C8H17O4P
SMILES:   P1(OCC(CO1)C(C)(C)C)(OC)=O
InChI:   InChI=1/C8H17O4P/c1-8(2,3)7-5-11-13(9,10-4)12-6-7/h7H,5-6H2,1-4H3/t7-,13+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.8718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.194 g/mol  logS: -1.96398  SlogP: 1.3798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166405  Sterimol/B1: 2.07006  Sterimol/B2: 2.99588  Sterimol/B3: 4.33612
  Sterimol/B4: 5.11488  Sterimol/L: 11.9324 
 
 Surface and Volume Properties
  Accessible surface: 389.884  Positive charged surface: 269.797  Negative charged surface: 120.087  Volume: 192.25
  Hydrophobic surface: 265.041  Hydrophilic surface: 124.843
 
 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.