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PUBCHEM-ZINC05411438

 MMsINC code: MMs03260475
Type: Neutral
Formula: C6H10O5
SMILES:   O1C(CO)C(O)C2OC2C1O
InChI:   InChI=1/C6H10O5/c7-1-2-3(8)4-5(11-4)6(9)10-2/h2-9H,1H2/t2-,3-,4-,5-,6+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.7111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: 0.55339  SlogP: -2.1758  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.155957  Sterimol/B1: 2.56326  Sterimol/B2: 3.1268  Sterimol/B3: 3.83791
  Sterimol/B4: 4.15825  Sterimol/L: 9.46568 
 
 Surface and Volume Properties
  Accessible surface: 322.062  Positive charged surface: 221.576  Negative charged surface: 100.486  Volume: 136.125
  Hydrophobic surface: 150.052  Hydrophilic surface: 172.01
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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: no related molecules available.