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PUBCHEM-ZINC06019411

 MMsINC code: MMs03494786
Type: Neutral
Formula: C7H13O5P
SMILES:   P(=O)(CCC(O)=O)(CCC(O)=O)C
InChI:   InChI=1/C7H13O5P/c1-13(12,4-2-6(8)9)5-3-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)

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Potential Energy
Epot(MMFF94)=-6.56181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.15 g/mol  logS: 1.14222  SlogP: -0.1415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0613514  Sterimol/B1: 2.03994  Sterimol/B2: 2.56631  Sterimol/B3: 4.09605
  Sterimol/B4: 5.37151  Sterimol/L: 14.4959 
 
 Surface and Volume Properties
  Accessible surface: 403.436  Positive charged surface: 246.005  Negative charged surface: 157.432  Volume: 182.375
  Hydrophobic surface: 160.683  Hydrophilic surface: 242.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs03494787
PUBCHEM-ZINC06019411