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AURORAFEINCHEMIE-ZINC03957190

 MMsINC code: MMs00458870
Type: Neutral
Formula: C5H12O5P2
SMILES:   P1(OP(OCC1)OCC)(OC)=O
InChI:   InChI=1/C5H12O5P2/c1-3-8-11-9-4-5-12(6,7-2)10-11/h3-5H2,1-2H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=-4.84708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.094 g/mol  logS: -0.36967  SlogP: 1.0659  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0790082  Sterimol/B1: 2.71025  Sterimol/B2: 3.28776  Sterimol/B3: 3.81952
  Sterimol/B4: 5.88404  Sterimol/L: 12.1532 
 
 Surface and Volume Properties
  Accessible surface: 409.413  Positive charged surface: 316.8  Negative charged surface: 92.6123  Volume: 173.125
  Hydrophobic surface: 296.355  Hydrophilic surface: 113.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.