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IBS-ZINC01827766

 MMsINC code: MMs01777764
Type: Neutral
Formula: C7H11O6P
SMILES:   P(O)(=O)(CCC(O)=O)C1CC(OC1)=O
InChI:   InChI=1/C7H11O6P/c8-6(9)1-2-14(11,12)5-3-7(10)13-4-5/h5H,1-4H2,(H,8,9)(H,11,12)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=-8.17358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.133 g/mol  logS: 0.67167  SlogP: -1.0232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0761279  Sterimol/B1: 3.01284  Sterimol/B2: 3.28838  Sterimol/B3: 3.59744
  Sterimol/B4: 4.42045  Sterimol/L: 13.9573 
 
 Surface and Volume Properties
  Accessible surface: 393.778  Positive charged surface: 233.926  Negative charged surface: 159.852  Volume: 175.75
  Hydrophobic surface: 152.343  Hydrophilic surface: 241.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs01777765
IBS-ZINC01827766