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AURORAFEINCHEMIE-ZINC02391253

 MMsINC code: MMs00452893
Type: Neutral
Formula: C10H24O7P2
SMILES:   P(OCC)(OCC)(=O)C(OP(OCC)(OCC)=O)C
InChI:   InChI=1/C10H24O7P2/c1-6-13-18(11,14-7-2)10(5)17-19(12,15-8-3)16-9-4/h10H,6-9H2,1-5H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.99677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.243 g/mol  logS: -1.40356  SlogP: 1.6558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186667  Sterimol/B1: 1.969  Sterimol/B2: 3.41878  Sterimol/B3: 6.78382
  Sterimol/B4: 7.3698  Sterimol/L: 15.424 
 
 Surface and Volume Properties
  Accessible surface: 595.582  Positive charged surface: 406.096  Negative charged surface: 189.486  Volume: 287
  Hydrophobic surface: 401.329  Hydrophilic surface: 194.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.