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NCID-ZINC01621052

 MMsINC code: MMs02269006
Type: Neutral
Formula: C10H24O6P2
SMILES:   P(OCC)(OP(OCC)(OCC)=O)(=O)CCCC
InChI:   InChI=1/C10H24O6P2/c1-5-9-10-17(11,13-6-2)16-18(12,14-7-3)15-8-4/h5-10H2,1-4H3/t17-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-35.8773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.244 g/mol  logS: -1.76997  SlogP: 2.0734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108078  Sterimol/B1: 3.54952  Sterimol/B2: 3.75378  Sterimol/B3: 4.49822
  Sterimol/B4: 8.58539  Sterimol/L: 15.5326 
 
 Surface and Volume Properties
  Accessible surface: 588.388  Positive charged surface: 414.02  Negative charged surface: 174.368  Volume: 279.875
  Hydrophobic surface: 419.881  Hydrophilic surface: 168.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.