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PUBCHEM-ZINC03869886

 MMsINC code: MMs03079015
Type: Neutral
Formula: C3H8O10P2
SMILES:   P(OC(=O)C(O)COP(O)(O)=O)(O)(O)=O
InChI:   InChI=1/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-126.447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.035 g/mol  logS: 1.17639  SlogP: -4.0479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0882741  Sterimol/B1: 3.20769  Sterimol/B2: 3.32121  Sterimol/B3: 4.05963
  Sterimol/B4: 4.14297  Sterimol/L: 13.3038 
 
 Surface and Volume Properties
  Accessible surface: 421.948  Positive charged surface: 206.366  Negative charged surface: 215.582  Volume: 169
  Hydrophobic surface: 45.5505  Hydrophilic surface: 376.3975
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  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: 0
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Ions/Tautomers related molecules


MMs03079016
PUBCHEM-ZINC03869886