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ACROSORGANICS-ZINC01629622

 MMsINC code: MMs00009975
Type: Neutral
Formula: C10H24O6P2
SMILES:   P(OCC)(OCC)(=O)CCP(OCC)(OCC)=O
InChI:   InChI=1/C10H24O6P2/c1-5-13-17(11,14-6-2)9-10-18(12,15-7-3)16-8-4/h5-10H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.66441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.244 g/mol  logS: -0.94106  SlogP: 1.3782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1476  Sterimol/B1: 2.13099  Sterimol/B2: 2.23275  Sterimol/B3: 5.9816
  Sterimol/B4: 6.87699  Sterimol/L: 15.9928 
 
 Surface and Volume Properties
  Accessible surface: 595.561  Positive charged surface: 423.697  Negative charged surface: 171.864  Volume: 279
  Hydrophobic surface: 431.169  Hydrophilic surface: 164.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.