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PUBCHEM-ZINC05132116

 MMsINC code: MMs03207074
Type: Neutral
Formula: C10H17O7P
SMILES:   P(OC)(OC)(=O)CC(OCC\C(=C\C(O)=O)\C)=O
InChI:   InChI=1/C10H17O7P/c1-8(6-9(11)12)4-5-17-10(13)7-18(14,15-2)16-3/h6H,4-5,7H2,1-3H3,(H,11,12)/b8-6-

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Potential Energy
Epot(MMFF94)=26.8082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.213 g/mol  logS: -0.73353  SlogP: 0.3663  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0421255  Sterimol/B1: 2.14473  Sterimol/B2: 3.09444  Sterimol/B3: 3.35202
  Sterimol/B4: 6.64803  Sterimol/L: 15.7072 
 
 Surface and Volume Properties
  Accessible surface: 521.513  Positive charged surface: 364.071  Negative charged surface: 157.442  Volume: 246.875
  Hydrophobic surface: 361.103  Hydrophilic surface: 160.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03207075
PUBCHEM-ZINC05132116