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NCID-ZINC01678461

 MMsINC code: MMs02313223
Type: Neutral
Formula: C5H11O4P
SMILES:   P(OC)(OC)(=O)CC1OC1
InChI:   InChI=1/C5H11O4P/c1-7-10(6,8-2)4-5-3-9-5/h5H,3-4H2,1-2H3/t5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.6087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.113 g/mol  logS: 0.09714  SlogP: -0.1991  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0776315  Sterimol/B1: 2.42189  Sterimol/B2: 2.70577  Sterimol/B3: 3.65015
  Sterimol/B4: 5.53631  Sterimol/L: 10.6843 
 
 Surface and Volume Properties
  Accessible surface: 350.019  Positive charged surface: 245.213  Negative charged surface: 104.806  Volume: 146.5
  Hydrophobic surface: 282.95  Hydrophilic surface: 67.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.