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NCID-ZINC01600091

 MMsINC code: MMs02253292
Type: Neutral
Formula: C8H20O3P2
SMILES:   P(OP(=O)(CC)CC)(=O)(CC)CC
InChI:   InChI=1/C8H20O3P2/c1-5-12(9,6-2)11-13(10,7-3)8-4/h5-8H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.5304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.193 g/mol  logS: -0.2893  SlogP: 1.4984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.363557  Sterimol/B1: 2.21348  Sterimol/B2: 2.60197  Sterimol/B3: 5.07026
  Sterimol/B4: 6.9164  Sterimol/L: 10.3821 
 
 Surface and Volume Properties
  Accessible surface: 431.941  Positive charged surface: 299.241  Negative charged surface: 132.7  Volume: 219.125
  Hydrophobic surface: 324.268  Hydrophilic surface: 107.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.