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NCID-ZINC05063625

 MMsINC code: MMs02435249
Type: Neutral
Formula: C10H18O6
SMILES:   O1C(OC)C(O)C2OC(OC2C1CO)(C)C
InChI:   InChI=1/C10H18O6/c1-10(2)15-7-5(4-11)14-9(13-3)6(12)8(7)16-10/h5-9,11-12H,4H2,1-3H3/t5-,6-,7-,8+,9+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.248 g/mol  logS: -0.64481  SlogP: -0.769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.509975  Sterimol/B1: 4.12707  Sterimol/B2: 4.32931  Sterimol/B3: 4.37771
  Sterimol/B4: 5.98938  Sterimol/L: 10.211 
 
 Surface and Volume Properties
  Accessible surface: 416.389  Positive charged surface: 327.852  Negative charged surface: 88.5372  Volume: 212
  Hydrophobic surface: 258.587  Hydrophilic surface: 157.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.