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ACROSORGANICS-ZINC01720920

 MMsINC code: MMs00011657
Type: Neutral
Formula: C9H22O6P2
SMILES:   P(OCC)(OCC)(=O)CP(OCC)(OCC)=O
InChI:   InChI=1/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.16795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.217 g/mol  logS: -0.64656  SlogP: 1.3357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195368  Sterimol/B1: 2.25647  Sterimol/B2: 2.2689  Sterimol/B3: 6.34345
  Sterimol/B4: 7.10642  Sterimol/L: 14.981 
 
 Surface and Volume Properties
  Accessible surface: 552.85  Positive charged surface: 400.258  Negative charged surface: 152.592  Volume: 262.375
  Hydrophobic surface: 404.055  Hydrophilic surface: 148.795
 
 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.