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PUBCHEM-ZINC05851421

 MMsINC code: MMs03416953
Type: Neutral
Formula: C5H11O7P
SMILES:   P(OCC1OCC(O)C1O)(O)(O)=O
InChI:   InChI=1/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(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)=-24.2039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.11 g/mol  logS: 0.93802  SlogP: -2.8539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110298  Sterimol/B1: 2.45771  Sterimol/B2: 2.48839  Sterimol/B3: 4.17622
  Sterimol/B4: 4.97147  Sterimol/L: 11.7622 
 
 Surface and Volume Properties
  Accessible surface: 385.911  Positive charged surface: 252.516  Negative charged surface: 133.395  Volume: 160.25
  Hydrophobic surface: 125.757  Hydrophilic surface: 260.154
 
 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


MMs03416954
PUBCHEM-ZINC05851421