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PUBCHEM-ZINC01532719

 MMsINC code: MMs02813706
Type: Neutral
Formula: C5H11O7P
SMILES:   P(OCC1OC(O)CC1O)(O)(O)=O
InChI:   InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-50.5809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.11 g/mol  logS: 0.85552  SlogP: -2.5063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0936771  Sterimol/B1: 2.86897  Sterimol/B2: 3.26937  Sterimol/B3: 3.94715
  Sterimol/B4: 4.58629  Sterimol/L: 11.7672 
 
 Surface and Volume Properties
  Accessible surface: 390.688  Positive charged surface: 244.965  Negative charged surface: 145.723  Volume: 160.75
  Hydrophobic surface: 120.548  Hydrophilic surface: 270.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02813707
PUBCHEM-ZINC01532719